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

Systemtic Name: N-[(4-ethylphenyl)methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C24H27N3O MolecularWeight: 373.49068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C24H27N3O/c1-2-18-10-12-19(13-11-18)16-26-24(28)22-17-25-23(27-14-6-3-7-15-27)21-9-5-4-8-20(21)22/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,28)