6-(4-chlorophenyl)-2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]pyran-3-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]pyran-3-carbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-oxo-pyran-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-oxo-4-[4-(phenylmethyl)-1-piperazinyl]-3-pyrancarbonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-chlorophenyl)-2-oxopyran-3-carbonitrile Traditional Name: 4-(4-benzylpiperazino)-6-(4-chlorophenyl)-2-keto-pyran-3-carbonitrile Formula: C23H20ClN3O2 MolecularWeight: 405.8768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)OC(=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)OC(=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C23H20ClN3O2/c24-19-8-6-18(7-9-19)22-14-21(20(15-25)23(28)29-22)27-12-10-26(11-13-27)16-17-4-2-1-3-5-17/h1-9,14H,10-13,16H2