N-(5-azanylpentyl)-2-[2-(4-phenylmethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(5-azanylpentyl)-2-[2-(4-phenylmethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(5-aminopentyl)-2-[2-(4-benzyloxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(5-aminopentyl)-2-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(5-aminopentyl)-2-[2-(4-phenylmethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(5-aminopentyl)-2-[2-(4-benzoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NCCCCCN

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NCCCCCN

InChI

InChI=1S/C30H35N3O3/c31-17-7-2-8-18-32-30(35)28-20-25-11-5-6-12-26(25)21-33(28)29(34)19-23-13-15-27(16-14-23)36-22-24-9-3-1-4-10-24/h1,3-6,9-16,28H,2,7-8,17-22,31H2,(H,32,35)