5-(4-ethanoylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-pyrrole-2-carbonitrile hydrochloride

Systemtic Name: 5-(4-ethanoylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-pyrrole-2-carbonitrile hydrochloride Openeye Name: 5-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrrole-2-carbonitrile hydrochloride CAS Name: 5-(4-acetyl-1-piperazinyl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-yl-2-pyrrolecarbonitrile hydrochloride IUPAC Name: 5-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carbonitrile hydrochloride Traditional Name: 5-(4-acetylpiperazino)-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrrole-2-carbonitrile hydrochloride Formula: C23H23ClFN5O MolecularWeight: 439.913023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C(=C(N2C)C#N)C3=CC=C(C=C3)F)C4=CC=NC=C4.Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C(=C(N2C)C#N)C3=CC=C(C=C3)F)C4=CC=NC=C4.Cl

InChI

InChI=1S/C23H22FN5O.ClH/c1-16(30)28-11-13-29(14-12-28)23-22(18-7-9-26-10-8-18)21(20(15-25)27(23)2)17-3-5-19(24)6-4-17;/h3-10H,11-14H2,1-2H3;1H