4-[(E)-2-cyano-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-2-cyano-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-cyano-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-cyano-3-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-cyano-3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-cyano-3-keto-3-[4-(3-methoxyphenyl)piperazino]prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H23N5O2/c1-16-17(12-20(15-24)25(16)2)11-18(14-23)22(28)27-9-7-26(8-10-27)19-5-4-6-21(13-19)29-3/h4-6,11-13H,7-10H2,1-3H3/b18-11+