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

Systemtic Name: 3-azanyl-5-cyclohexyl-1-[(3-ethanoylpyridin-2-yl)methyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[(3-acetyl-2-pyridyl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[(3-acetyl-2-pyridinyl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[(3-acetylpyridin-2-yl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[(3-acetyl-2-pyridyl)methyl]-3-amino-5-cyclohexyl-3H-1,4-benzodiazepin-2-one Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=CC=C1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4CCCCC4

Isomeric SMILES

CC(=O)C1=C(N=CC=C1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4CCCCC4

InChI

InChI=1S/C23H26N4O2/c1-15(28)17-11-7-13-25-19(17)14-27-20-12-6-5-10-18(20)21(26-22(24)23(27)29)16-8-3-2-4-9-16/h5-7,10-13,16,22H,2-4,8-9,14,24H2,1H3