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

Systemtic Name: N-(7-azanylheptyl)-2-[2-(4-phenylphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(7-aminoheptyl)-2-[2-(4-phenylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(7-aminoheptyl)-2-[1-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(7-aminoheptyl)-2-[2-(4-phenylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(7-aminoheptyl)-2-[2-(4-phenylphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H37N3O2 MolecularWeight: 483.64438

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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)NCCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O2/c32-19-9-2-1-3-10-20-33-31(36)29-22-27-13-7-8-14-28(27)23-34(29)30(35)21-24-15-17-26(18-16-24)25-11-5-4-6-12-25/h4-8,11-18,29H,1-3,9-10,19-23,32H2,(H,33,36)