2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxohexylamino)-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-phenethylbenzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2/c1-2-3-5-14-29(34)32-26-15-16-28(33-20-18-24-12-8-9-13-25(24)22-33)27(21-26)30(35)31-19-17-23-10-6-4-7-11-23/h4,6-13,15-16,21H,2-3,5,14,17-20,22H2,1H3,(H,31,35)(H,32,34)