N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-6-ethoxy-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-6-ethoxy-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-ethoxy-4-keto-N-[4-[(4-piperonylpiperazino)methyl]benzyl]-1H-quinoline-3-carboxamide Formula: C32H34N4O5 MolecularWeight: 554.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H34N4O5/c1-2-39-25-8-9-28-26(16-25)31(37)27(18-33-28)32(38)34-17-22-3-5-23(6-4-22)19-35-11-13-36(14-12-35)20-24-7-10-29-30(15-24)41-21-40-29/h3-10,15-16,18H,2,11-14,17,19-21H2,1H3,(H,33,37)(H,34,38)