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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxohexylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(caproylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C28H32N4O2/c1-2-3-4-11-27(33)31-24-12-13-26(32-16-14-22-9-5-6-10-23(22)20-32)25(17-24)28(34)30-19-21-8-7-15-29-18-21/h5-10,12-13,15,17-18H,2-4,11,14,16,19-20H2,1H3,(H,30,34)(H,31,33)