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

Systemtic Name: N-(6-azanylhexyl)-2-[2-(4-phenylphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(6-aminohexyl)-2-[2-(4-phenylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(6-aminohexyl)-2-[1-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(6-aminohexyl)-2-[2-(4-phenylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(6-aminohexyl)-2-[2-(4-phenylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O2/c31-18-8-1-2-9-19-32-30(35)28-21-26-12-6-7-13-27(26)22-33(28)29(34)20-23-14-16-25(17-15-23)24-10-4-3-5-11-24/h3-7,10-17,28H,1-2,8-9,18-22,31H2,(H,32,35)