N-(isoquinolin-5-ylmethyl)-N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanamide Openeye Name: N-(5-isoquinolylmethyl)-N-methyl-2-[1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide CAS Name: N-(5-isoquinolinylmethyl)-N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxo-2-piperazinyl]acetamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide Traditional Name: N-(5-isoquinolylmethyl)-2-[3-keto-1-(2-methylbenzyl)piperazin-2-yl]-N-methyl-acetamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N(C)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N(C)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28N4O2/c1-18-6-3-4-7-20(18)17-29-13-12-27-25(31)23(29)14-24(30)28(2)16-21-9-5-8-19-15-26-11-10-22(19)21/h3-11,15,23H,12-14,16-17H2,1-2H3,(H,27,31)