1-[5-cyclohexyl-1-[(3-ethanoylpyridin-2-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-cyclohexyl-1-[(3-ethanoylpyridin-2-yl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[(3-acetyl-2-pyridyl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[(3-acetyl-2-pyridinyl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[(3-acetylpyridin-2-yl)methyl]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[(3-acetyl-2-pyridyl)methyl]-5-cyclohexyl-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C31H33N5O3 MolecularWeight: 523.62542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC5=C(C=CC=N5)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC5=C(C=CC=N5)C(=O)C

InChI

InChI=1S/C31H33N5O3/c1-20-10-8-13-23(18-20)33-31(39)35-29-30(38)36(19-26-24(21(2)37)15-9-17-32-26)27-16-7-6-14-25(27)28(34-29)22-11-4-3-5-12-22/h6-10,13-18,22,29H,3-5,11-12,19H2,1-2H3,(H2,33,35,39)