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

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxoheptylamino)benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)benzamide Formula: C29H42N4O2 MolecularWeight: 478.66938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O2/c1-4-7-8-9-14-28(34)31-25-15-16-27(33-19-17-23-12-10-11-13-24(23)22-33)26(21-25)29(35)30-18-20-32(5-2)6-3/h10-13,15-16,21H,4-9,14,17-20,22H2,1-3H3,(H,30,35)(H,31,34)