N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinoline-3-carboxamide

Systemtic Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinoline-3-carboxamide Openeye Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinoline-3-carboxamide CAS Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-quinolinecarboxamide IUPAC Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinoline-3-carboxamide Traditional Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinoline-3-carboxamide Formula: C27H25N3O MolecularWeight: 407.5069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H25N3O/c31-27(24-17-22-6-3-4-8-26(22)28-18-24)29-25-11-9-20(10-12-25)13-15-30-16-14-21-5-1-2-7-23(21)19-30/h1-12,17-18H,13-16,19H2,(H,29,31)