N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide

Systemtic Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide Openeye Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide CAS Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxoheptylamino)benzamide IUPAC Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide Traditional Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)benzamide Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CCCCC4

Isomeric SMILES

CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CCCCC4

InChI

InChI=1S/C29H39N3O2/c1-2-3-4-8-15-28(33)30-25-16-17-27(32-19-18-22-11-9-10-12-23(22)21-32)26(20-25)29(34)31-24-13-6-5-7-14-24/h9-12,16-17,20,24H,2-8,13-15,18-19,21H2,1H3,(H,30,33)(H,31,34)