tert-butyl 5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoate

Systemtic Name: tert-butyl 5-methyl-3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoate Openeye Name: tert-butyl 2,2-diallyl-5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]hexanoate CAS Name: 5-methyl-3-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-2,2-bis(prop-2-enyl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-2,2-bis(prop-2-enyl)hexanoate Traditional Name: 2-allyl-2-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid tert-butyl ester Formula: C34H43N3O4 MolecularWeight: 557.72292

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

InChI

InChI=1S/C34H43N3O4/c1-9-20-34(21-10-2,32(40)41-33(5,6)7)26(22-23(3)4)30(38)36-29-31(39)37(8)27-19-15-14-18-25(27)28(35-29)24-16-12-11-13-17-24/h9-19,23,26,29H,1-2,20-22H2,3-8H3,(H,36,38)