tert-butyl 8-methoxy-7-(4-methylpiperazin-1-yl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 8-methoxy-7-(4-methylpiperazin-1-yl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 8-methoxy-7-(4-methylpiperazin-1-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 8-methoxy-7-(4-methyl-1-piperazinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-methoxy-7-(4-methylpiperazin-1-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 2-keto-8-methoxy-7-(4-methylpiperazino)-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2NC1=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2NC1=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(26)15-7-6-14-12-17(24-10-8-23(4)9-11-24)18(27-5)13-16(14)22-19(15)25/h12-13,15H,6-11H2,1-5H3,(H,22,25)