N-[1-(phenylmethyl)piperidin-4-yl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O/c32-27(29-22-13-17-30(18-14-22)20-21-9-3-1-4-10-21)25-19-28-26(31-15-7-2-8-16-31)24-12-6-5-11-23(24)25/h1,3-6,9-12,19,22H,2,7-8,13-18,20H2,(H,29,32)