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

Systemtic Name: 2-[(7-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)-N-propan-2-yl-benzamide Openeye Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-isopropyl-N-(4-phenylbutyl)benzamide CAS Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)-N-propan-2-ylbenzamide IUPAC Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)-N-propan-2-ylbenzamide Traditional Name: 2-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-isopropyl-N-(4-phenylbutyl)benzamide Formula: C30H37N3O MolecularWeight: 455.63428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCC1=CC=CC=C1)C(=O)C2=CC=CC=C2CN3CCC4=C(C3)C=C(C=C4)N

Isomeric SMILES

CC(C)N(CCCCC1=CC=CC=C1)C(=O)C2=CC=CC=C2CN3CCC4=C(C3)C=C(C=C4)N

InChI

InChI=1S/C30H37N3O/c1-23(2)33(18-9-8-12-24-10-4-3-5-11-24)30(34)29-14-7-6-13-26(29)21-32-19-17-25-15-16-28(31)20-27(25)22-32/h3-7,10-11,13-16,20,23H,8-9,12,17-19,21-22,31H2,1-2H3