N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)methyl]phenyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[4-[(4-methylpiperidino)methyl]phenyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C28H34N4O/c1-21-13-17-31(18-14-21)20-22-9-11-23(12-10-22)30-28(33)26-19-29-27(32-15-5-2-6-16-32)25-8-4-3-7-24(25)26/h3-4,7-12,19,21H,2,5-6,13-18,20H2,1H3,(H,30,33)