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

Systemtic Name: 1-(2-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(2-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(2-ethylphenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(2-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(2-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C#N

Isomeric SMILES

CCC1=CC=CC=C1N2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C#N

InChI

InChI=1S/C25H26N4O2/c1-3-19-8-4-5-9-21(19)29-13-12-20(18-26)24(29)25(30)28-16-14-27(15-17-28)22-10-6-7-11-23(22)31-2/h4-13H,3,14-17H2,1-2H3