N-butyl-N-(phenylmethyl)isoquinoline-1-carboxamide

Systemtic Name: N-butyl-N-(phenylmethyl)isoquinoline-1-carboxamide Openeye Name: N-benzyl-N-butyl-isoquinoline-1-carboxamide CAS Name: N-butyl-N-(phenylmethyl)-1-isoquinolinecarboxamide IUPAC Name: N-benzyl-N-butylisoquinoline-1-carboxamide Traditional Name: N-benzyl-N-butyl-isoquinoline-1-carboxamide Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O/c1-2-3-15-23(16-17-9-5-4-6-10-17)21(24)20-19-12-8-7-11-18(19)13-14-22-20/h4-14H,2-3,15-16H2,1H3