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

Systemtic Name: tert-butyl 1-[4-methyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-pentan-2-yl]cyclopent-3-ene-1-carboxylate Openeye Name: tert-butyl 1-[3-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]butyl]cyclopent-3-ene-1-carboxylate CAS Name: 1-[4-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopentan-2-yl]-1-cyclopent-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-methyl-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopentan-2-yl]cyclopent-3-ene-1-carboxylate Traditional Name: 1-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]cyclopent-3-ene-1-carboxylic acid tert-butyl ester Formula: C32H39N3O4 MolecularWeight: 529.66976

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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(CC=CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)C4(CC=CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H39N3O4/c1-21(2)20-24(32(18-12-13-19-32)30(38)39-31(3,4)5)28(36)34-27-29(37)35(6)25-17-11-10-16-23(25)26(33-27)22-14-8-7-9-15-22/h7-17,21,24,27H,18-20H2,1-6H3,(H,34,36)