2-[(7-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[(7-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O/c28-25-14-13-22-15-17-30(20-24(22)18-25)19-23-11-4-5-12-26(23)27(31)29-16-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-14,18H,6-7,10,15-17,19-20,28H2,(H,29,31)