N-(isoquinolin-5-ylmethyl)-2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-methyl-ethanamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-methyl-ethanamide Openeye Name: N-(5-isoquinolylmethyl)-2-[1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-acetamide CAS Name: N-(5-isoquinolinylmethyl)-2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazinyl]-N-methylacetamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide Traditional Name: N-(5-isoquinolylmethyl)-2-[3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-2-yl]-N-methyl-acetamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)N(C)CC3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCNC(=O)C2CC(=O)N(C)CC3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C26H30N4O3/c1-18-13-19(7-8-24(18)33-3)16-30-12-11-28-26(32)23(30)14-25(31)29(2)17-21-6-4-5-20-15-27-10-9-22(20)21/h4-10,13,15,23H,11-12,14,16-17H2,1-3H3,(H,28,32)