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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxononylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pelargonylamino)-N-(3-pyridylmethyl)benzamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O2/c1-2-3-4-5-6-7-14-30(36)34-27-15-16-29(35-19-17-25-12-8-9-13-26(25)23-35)28(20-27)31(37)33-22-24-11-10-18-32-21-24/h8-13,15-16,18,20-21H,2-7,14,17,19,22-23H2,1H3,(H,33,37)(H,34,36)