8-chloranyl-4-(3-imidazol-1-ylphenyl)-7-(2-methylpropylamino)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-chloranyl-4-(3-imidazol-1-ylphenyl)-7-(2-methylpropylamino)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-chloro-4-(3-imidazol-1-ylphenyl)-7-(isobutylamino)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-chloro-4-[3-(1-imidazolyl)phenyl]-7-(2-methylpropylamino)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-chloro-4-(3-imidazol-1-ylphenyl)-7-(2-methylpropylamino)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-chloro-4-(3-imidazol-1-ylphenyl)-7-(isobutylamino)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=CC=C3)N4C=CN=C4)Cl

Isomeric SMILES

CC(C)CNC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=CC=C3)N4C=CN=C4)Cl

InChI

InChI=1S/C22H22ClN5O/c1-14(2)12-25-19-10-21-20(9-17(19)23)27-22(29)11-18(26-21)15-4-3-5-16(8-15)28-7-6-24-13-28/h3-10,13-14,25H,11-12H2,1-2H3,(H,27,29)