1-(3-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(3-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(3-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(3-bromophenyl)-2-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(3-bromophenyl)-2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(3-bromophenyl)-2-(4-o-phenetylpiperazine-1-carbonyl)pyrrole-3-carbonitrile Formula: C24H23BrN4O2 MolecularWeight: 479.36902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CN3C4=CC(=CC=C4)Br)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CN3C4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C24H23BrN4O2/c1-2-31-22-9-4-3-8-21(22)27-12-14-28(15-13-27)24(30)23-18(17-26)10-11-29(23)20-7-5-6-19(25)16-20/h3-11,16H,2,12-15H2,1H3