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

Systemtic Name: 3-azanyl-5-cyclohexyl-1-[(2-ethanoylphenyl)methyl]-9-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[(2-acetylphenyl)methyl]-3-amino-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[(2-acetylphenyl)methyl]-3-amino-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[(2-acetylphenyl)methyl]-3-amino-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-acetylbenzyl)-3-amino-5-cyclohexyl-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=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC4=CC=CC=C4C(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC4=CC=CC=C4C(=O)C

InChI

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