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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxoheptylamino)benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)-N-sec-butyl-benzamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-4-6-7-8-13-26(31)29-23-14-15-25(24(18-23)27(32)28-20(3)5-2)30-17-16-21-11-9-10-12-22(21)19-30/h9-12,14-15,18,20H,4-8,13,16-17,19H2,1-3H3,(H,28,32)(H,29,31)