methyl 4-[N-(2-chlorophenyl)-C-(4-phenethylpiperazin-1-yl)carbonimidoyl]benzoate

Systemtic Name: methyl 4-[N-(2-chlorophenyl)-C-(4-phenethylpiperazin-1-yl)carbonimidoyl]benzoate Openeye Name: methyl 4-[N-(2-chlorophenyl)-C-(4-phenethylpiperazin-1-yl)carbonimidoyl]benzoate CAS Name: 4-[(2-chlorophenyl)imino-(4-phenethyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[N-(2-chlorophenyl)-C-(4-phenethylpiperazin-1-yl)carbonimidoyl]benzoate Traditional Name: 4-[N-(2-chlorophenyl)-C-(4-phenethylpiperazino)carbonimidoyl]benzoic acid methyl ester Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2Cl)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2Cl)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O2/c1-33-27(32)23-13-11-22(12-14-23)26(29-25-10-6-5-9-24(25)28)31-19-17-30(18-20-31)16-15-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3