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

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxononylamino)benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pelargonylamino)benzamide Formula: C31H46N4O2 MolecularWeight: 506.72254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N4O2/c1-4-7-8-9-10-11-16-30(36)33-27-17-18-29(35-21-19-25-14-12-13-15-26(25)24-35)28(23-27)31(37)32-20-22-34(5-2)6-3/h12-15,17-18,23H,4-11,16,19-22,24H2,1-3H3,(H,32,37)(H,33,36)