N-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(2-phenylethanoylamino)propanamide

Systemtic Name: N-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(2-phenylethanoylamino)propanamide Openeye Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-[(2-phenylacetyl)amino]propanamide CAS Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-[(2-phenylacetyl)amino]propanamide Traditional Name: N-(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-2-[(2-phenylacetyl)amino]propionamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-18(28-23(32)17-19-11-5-3-6-12-19)26(33)30-25-27(34)31(2)22-16-10-9-15-21(22)24(29-25)20-13-7-4-8-14-20/h3,5-6,9-12,15-16,18,20,25H,4,7-8,13-14,17H2,1-2H3,(H,28,32)(H,30,33)