ethyl 4-[[2-oxidanylidene-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]indol-3-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]indol-3-ylidene]amino]benzoate Openeye Name: ethyl 4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]benzoate CAS Name: 4-[[2-oxo-1-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-indolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]benzoate Traditional Name: 4-[[1-[(4-benzylpiperazino)methyl]-2-keto-indolin-3-ylidene]amino]benzoic acid ethyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-2-36-29(35)23-12-14-24(15-13-23)30-27-25-10-6-7-11-26(25)33(28(27)34)21-32-18-16-31(17-19-32)20-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3