1-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CN3C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CN3C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C23H21ClN4O2/c1-30-21-5-3-2-4-20(21)26-12-14-27(15-13-26)23(29)22-17(16-25)10-11-28(22)19-8-6-18(24)7-9-19/h2-11H,12-15H2,1H3