N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C29H37N5O2/c1-36-27-13-6-5-12-26(27)33-20-18-32(19-21-33)15-9-14-30-29(35)25-22-31-28(34-16-7-2-8-17-34)24-11-4-3-10-23(24)25/h3-6,10-13,22H,2,7-9,14-21H2,1H3,(H,30,35)