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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-(nonanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)-5-(nonanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-(1-oxononylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-(nonanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)-5-(pelargonylamino)benzamide Formula: C31H44N4O3 MolecularWeight: 520.70606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN4CCOCC4

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C31H44N4O3/c1-2-3-4-5-6-7-12-30(36)33-27-13-14-29(35-17-15-25-10-8-9-11-26(25)24-35)28(23-27)31(37)32-16-18-34-19-21-38-22-20-34/h8-11,13-14,23H,2-7,12,15-22,24H2,1H3,(H,32,37)(H,33,36)