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

Systemtic Name: tert-butyl 1-[4-methyl-1-oxidanylidene-1-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]pentan-2-yl]cyclopent-3-ene-1-carboxylate Openeye Name: tert-butyl 1-[3-methyl-1-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamoyl]butyl]cyclopent-3-ene-1-carboxylate CAS Name: 1-[4-methyl-1-oxo-1-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]pentan-2-yl]-1-cyclopent-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-methyl-1-oxo-1-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]pentan-2-yl]cyclopent-3-ene-1-carboxylate Traditional Name: 1-[1-[(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]cyclopent-3-ene-1-carboxylic acid tert-butyl ester Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C4(CC=CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C4(CC=CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H37N3O4/c1-20(2)19-23(31(17-11-12-18-31)29(37)38-30(3,4)5)27(35)34-26-28(36)32-24-16-10-9-15-22(24)25(33-26)21-13-7-6-8-14-21/h6-16,20,23,26H,17-19H2,1-5H3,(H,32,36)(H,34,35)