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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenyl-butanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenyl-butanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-phenylbutanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenylbutanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-phenyl-butyramide Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)CCCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)CCCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H31N3O/c1-28-17-8-14-24(28)25(29-18-16-22-12-5-6-13-23(22)20-29)19-27-26(30)15-7-11-21-9-3-2-4-10-21/h2-6,8-10,12-14,17,25H,7,11,15-16,18-20H2,1H3,(H,27,30)