N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxooctylamino)benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

InChI

InChI=1S/C27H35N3O2/c1-2-3-4-5-6-11-26(31)28-23-14-15-25(24(18-23)27(32)29-22-12-13-22)30-17-16-20-9-7-8-10-21(20)19-30/h7-10,14-15,18,22H,2-6,11-13,16-17,19H2,1H3,(H,28,31)(H,29,32)