1-piperidin-1-yl-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 1-piperidin-1-yl-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 1-(1-piperidyl)-N-(3-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 1-(1-piperidinyl)-N-(3-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 1-piperidin-1-yl-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 1-piperidino-N-(3-pyridylmethyl)isoquinoline-4-carboxamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21(24-14-16-7-6-10-22-13-16)19-15-23-20(25-11-4-1-5-12-25)18-9-3-2-8-17(18)19/h2-3,6-10,13,15H,1,4-5,11-12,14H2,(H,24,26)