6-ethoxy-4-oxidanylidene-2-(phenylmethyl)-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinoline-3-carboxamide

Systemtic Name: 6-ethoxy-4-oxidanylidene-2-(phenylmethyl)-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinoline-3-carboxamide Openeye Name: 2-benzyl-1-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxy-4-oxo-quinoline-3-carboxamide CAS Name: 6-ethoxy-4-oxo-2-(phenylmethyl)-1-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-quinolinecarboxamide IUPAC Name: 2-benzyl-1-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxy-4-oxoquinoline-3-carboxamide Traditional Name: 2-benzyl-1-[(4-benzylpiperazino)methyl]-6-ethoxy-4-keto-quinoline-3-carboxamide Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)N)CC3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)N)CC3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3/c1-2-38-25-13-14-27-26(20-25)30(36)29(31(32)37)28(19-23-9-5-3-6-10-23)35(27)22-34-17-15-33(16-18-34)21-24-11-7-4-8-12-24/h3-14,20H,2,15-19,21-22H2,1H3,(H2,32,37)