N-cyano-4-[2-(3,4-dimethoxyphenyl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide

Systemtic Name: N-cyano-4-[2-(3,4-dimethoxyphenyl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-[2-(3,4-dimethoxyphenyl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-[2-(3,4-dimethoxyphenyl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-4-homoveratroyl-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)33-15-16-34(25(19-33)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)