N-(6-azanylhexyl)-2-[2-(4-phenylmethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(6-azanylhexyl)-2-[2-(4-phenylmethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(6-aminohexyl)-2-[2-(4-benzyloxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(6-aminohexyl)-2-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(6-aminohexyl)-2-[2-(4-phenylmethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(6-aminohexyl)-2-[2-(4-benzoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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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)NCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O3/c32-18-8-1-2-9-19-33-31(36)29-21-26-12-6-7-13-27(26)22-34(29)30(35)20-24-14-16-28(17-15-24)37-23-25-10-4-3-5-11-25/h3-7,10-17,29H,1-2,8-9,18-23,32H2,(H,33,36)