1-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]-3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]propan-1-one

Systemtic Name: 1-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]-3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]propan-1-one Openeye Name: 1-[4-(3-imidazol-1-ylpropylamino)-1-piperidyl]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one CAS Name: 1-[4-[3-(1-imidazolyl)propylamino]-1-piperidinyl]-3-[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]-1-propanone IUPAC Name: 1-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Traditional Name: 1-[4-(3-imidazol-1-ylpropylamino)piperidino]-3-[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]propan-1-one Formula: C33H40N8O2 MolecularWeight: 580.7231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)NCCCN6C=CN=C6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CCC(=O)N5CCC(CC5)NCCCN6C=CN=C6

InChI

InChI=1S/C33H40N8O2/c1-24-20-26(33(43)41-22-27-21-36-38(2)32(27)37-29-6-3-4-7-30(29)41)9-8-25(24)10-11-31(42)40-17-12-28(13-18-40)35-14-5-16-39-19-15-34-23-39/h3-4,6-9,15,19-21,23,28,35-36H,5,10-14,16-18,22H2,1-2H3