tert-butyl N-[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-1-[2-(4-methylpiperazin-1-yl)ethanoyl]-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-(4-methylpiperazin-1-yl)ethanoyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[2-(2-methylphenyl)-2-oxoethyl]-1-[2-(4-methyl-1-piperazinyl)-1-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-(4-methylpiperazin-1-yl)acetyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-[2-(4-methylpiperazino)acetyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C30H39N5O5 MolecularWeight: 549.66116

Click to see the large picture

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)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)C(=O)CN4CCN(CC4)C

InChI

InChI=1S/C30H39N5O5/c1-21-10-6-7-11-22(21)26(36)19-35-25-13-9-8-12-24(25)34(27(37)20-33-16-14-32(5)15-17-33)18-23(28(35)38)31-29(39)40-30(2,3)4/h6-13,23H,14-20H2,1-5H3,(H,31,39)