N-(7-azanylheptyl)-2-[2-(4-phenylmethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(7-azanylheptyl)-2-[2-(4-phenylmethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(7-aminoheptyl)-2-[2-(4-benzyloxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(7-aminoheptyl)-2-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(7-aminoheptyl)-2-[2-(4-phenylmethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(7-aminoheptyl)-2-[2-(4-benzoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C32H39N3O3 MolecularWeight: 513.67036

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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)NCCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C32H39N3O3/c33-19-9-2-1-3-10-20-34-32(37)30-22-27-13-7-8-14-28(27)23-35(30)31(36)21-25-15-17-29(18-16-25)38-24-26-11-5-4-6-12-26/h4-8,11-18,30H,1-3,9-10,19-24,33H2,(H,34,37)