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

Systemtic Name: N-cyano-4-[4-(3,4-dimethoxyphenyl)butanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-[4-(3,4-dimethoxyphenyl)butanoyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-4-[4-(3,4-dimethoxyphenyl)-1-oxobutyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-[4-(3,4-dimethoxyphenyl)butanoyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-4-[4-(3,4-dimethoxyphenyl)butanoyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C31H35N5O3 MolecularWeight: 525.6413

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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)CCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H35N5O3/c1-23-10-7-8-14-26(23)34-31(33-22-32)35-18-19-36(27(21-35)25-12-5-4-6-13-25)30(37)15-9-11-24-16-17-28(38-2)29(20-24)39-3/h4-8,10,12-14,16-17,20,27H,9,11,15,18-19,21H2,1-3H3,(H,33,34)