1-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-3-oxidanylidene-indene-2-carbonitrile

Systemtic Name: 1-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-3-oxidanylidene-indene-2-carbonitrile Openeye Name: 1-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-3-oxo-indene-2-carbonitrile CAS Name: 1-[4-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]phenyl]-3-oxo-2-indenecarbonitrile IUPAC Name: 1-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]-3-oxoindene-2-carbonitrile Traditional Name: 1-[4-[[4-(2-chlorophenyl)piperazino]methyl]phenyl]-3-keto-indene-2-carbonitrile Formula: C27H22ClN3O MolecularWeight: 439.93608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C43)C#N)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C43)C#N)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H22ClN3O/c28-24-7-3-4-8-25(24)31-15-13-30(14-16-31)18-19-9-11-20(12-10-19)26-21-5-1-2-6-22(21)27(32)23(26)17-29/h1-12H,13-16,18H2