3-azanyl-5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-cyclohexyl-9-methyl-1-[2-(o-tolyl)-2-oxo-ethyl]-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-cyclohexyl-1-[2-keto-2-(o-tolyl)ethyl]-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4CCCCC4)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4CCCCC4)N

InChI

InChI=1S/C25H29N3O2/c1-16-9-6-7-13-19(16)21(29)15-28-23-17(2)10-8-14-20(23)22(27-24(26)25(28)30)18-11-4-3-5-12-18/h6-10,13-14,18,24H,3-5,11-12,15,26H2,1-2H3