N-(2-ethylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(2-ethylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(2-ethylphenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(2-ethylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2-ethylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(2-ethylphenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C23H25N3O/c1-2-17-10-4-7-13-21(17)25-23(27)20-16-24-22(26-14-8-3-9-15-26)19-12-6-5-11-18(19)20/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3,(H,25,27)