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

Systemtic Name: tert-butyl 3-[(5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoyl]-5-methyl-2,2-bis(prop-2-enyl)hexanoate Openeye Name: tert-butyl 2,2-diallyl-3-[(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoyl]-5-methyl-hexanoate CAS Name: 3-[[(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-5-methyl-2,2-bis(prop-2-enyl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoyl]-5-methyl-2,2-bis(prop-2-enyl)hexanoate Traditional Name: 2-allyl-2-[1-[(5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-3-methyl-butyl]pent-4-enoic acid tert-butyl ester Formula: C35H51N3O4 MolecularWeight: 577.79714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCCC3)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)C3CCCCCC3)C)C(CC=C)(CC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H51N3O4/c1-9-21-35(22-10-2,33(41)42-34(5,6)7)27(23-24(3)4)31(39)37-30-32(40)38(8)28-20-16-15-19-26(28)29(36-30)25-17-13-11-12-14-18-25/h9-10,15-16,19-20,24-25,27,30H,1-2,11-14,17-18,21-23H2,3-8H3,(H,37,39)