2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide CAS Name: 2-[[2-[oxo-(4-phenylbutylamino)methyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 2-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 2-[2-(4-phenylbutylcarbamoyl)benzyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)C(=O)N)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C(=O)N)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c29-27(32)23-14-13-22-15-17-31(20-25(22)18-23)19-24-11-4-5-12-26(24)28(33)30-16-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-14,18H,6-7,10,15-17,19-20H2,(H2,29,32)(H,30,33)