N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N,4-dipentyl-benzamide

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N,4-dipentyl-benzamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N,4-dipentyl-benzamide CAS Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,4-dipentylbenzamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,4-dipentylbenzamide Traditional Name: N,4-diamyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCCCC)CC(=O)N2CCC3=CC=CC=C3C2C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCCCC)CC(=O)N2CCC3=CC=CC=C3C2C

InChI

InChI=1S/C29H40N2O2/c1-4-6-8-12-24-15-17-26(18-16-24)29(33)30(20-11-7-5-2)22-28(32)31-21-19-25-13-9-10-14-27(25)23(31)3/h9-10,13-18,23H,4-8,11-12,19-22H2,1-3H3