methyl 1-[4-methyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-pentan-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[4-methyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-pentan-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]butyl]cyclohexanecarboxylate CAS Name: 1-[4-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopentan-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxylate Traditional Name: 1-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]cyclohexanecarboxylic acid methyl ester Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)C4(CCCCC4)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)C4(CCCCC4)C(=O)OC

InChI

InChI=1S/C30H37N3O4/c1-20(2)19-23(30(29(36)37-4)17-11-6-12-18-30)27(34)32-26-28(35)33(3)24-16-10-9-15-22(24)25(31-26)21-13-7-5-8-14-21/h5,7-10,13-16,20,23,26H,6,11-12,17-19H2,1-4H3,(H,32,34)