2-[4-(isoquinolin-1-ylmethyl)phenyl]pentanamide

Systemtic Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]pentanamide Openeye Name: 2-[4-(1-isoquinolylmethyl)phenyl]pentanamide CAS Name: 2-[4-(1-isoquinolinylmethyl)phenyl]pentanamide IUPAC Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]pentanamide Traditional Name: 2-[4-(1-isoquinolylmethyl)phenyl]valeramide Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CCCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C21H22N2O/c1-2-5-19(21(22)24)17-10-8-15(9-11-17)14-20-18-7-4-3-6-16(18)12-13-23-20/h3-4,6-13,19H,2,5,14H2,1H3,(H2,22,24)