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

Systemtic Name: tert-butyl N-[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-1-(2-methylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-methylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-methyl-1-oxopropyl)-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-[5-[2-(2-methylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-isobutyryl-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-17(2)24(32)29-15-20(28-26(34)35-27(4,5)6)25(33)30(22-14-10-9-13-21(22)29)16-23(31)19-12-8-7-11-18(19)3/h7-14,17,20H,15-16H2,1-6H3,(H,28,34)