methyl 4-[(E)-2-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridyl]vinyl]benzoate CAS Name: 4-[(E)-2-[4-[4-cyano-5-(1-piperazinyl)-1H-pyrrol-2-yl]-2-pyridinyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[4-(4-cyano-5-piperazino-1H-pyrrol-2-yl)-2-pyridyl]vinyl]benzoic acid methyl ester Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=NC=CC(=C2)C3=CC(=C(N3)N4CCNCC4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=NC=CC(=C2)C3=CC(=C(N3)N4CCNCC4)C#N

InChI

InChI=1S/C24H23N5O2/c1-31-24(30)18-5-2-17(3-6-18)4-7-21-14-19(8-9-27-21)22-15-20(16-25)23(28-22)29-12-10-26-11-13-29/h2-9,14-15,26,28H,10-13H2,1H3/b7-4+