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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxononylamino)-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pelargonylamino)-N-phenethyl-benzamide Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H41N3O2/c1-2-3-4-5-6-10-17-32(37)35-29-18-19-31(36-23-21-27-15-11-12-16-28(27)25-36)30(24-29)33(38)34-22-20-26-13-8-7-9-14-26/h7-9,11-16,18-19,24H,2-6,10,17,20-23,25H2,1H3,(H,34,38)(H,35,37)