1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one; 1-[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one; 1-[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one; [(3S)-1-(2-fluorophenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-cyclopropyl-3-[[1-(4-hydroxybutyl)-2-benzimidazolyl]methyl]-2-imidazo[4,5-c]pyridinone; [(3S)-1-(2-fluorophenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one; [(3S)-1-(2-fluorophenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one; [(3S)-1-(2-fluorophenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C43H40FN9O4 MolecularWeight: 765.834003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCCO.C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4F)NC(=O)N

Isomeric SMILES

C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCCO.C1=CC=C(C=C1)C2=N[C@@H](C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4F)NC(=O)N

InChI

InChI=1S/C22H17FN4O2.C21H23N5O2/c23-16-11-5-7-13-18(16)27-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)25-20(21(27)28)26-22(24)29;27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-13,20H,(H3,24,26,29);1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2/t20-;/m1./s1