tert-butyl N-[1-cyclopropylcarbonyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclopropylcarbonyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclopropanecarbonyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[cyclopropyl(oxo)methyl]-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(cyclopropanecarbonyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(cyclopropanecarbonyl)-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)C(=O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)C(=O)C4CC4

InChI

InChI=1S/C27H31N3O5/c1-17-9-5-6-10-19(17)23(31)16-30-22-12-8-7-11-21(22)29(24(32)18-13-14-18)15-20(25(30)33)28-26(34)35-27(2,3)4/h5-12,18,20H,13-16H2,1-4H3,(H,28,34)