3-[3-[(E)-3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-oxo-3-[4-(4-pyridylmethyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]prop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-keto-3-[4-(4-pyridylmethyl)piperazino]prop-1-enyl]indol-1-yl]propionitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C24H25N5O/c25-10-3-13-29-19-21(22-4-1-2-5-23(22)29)6-7-24(30)28-16-14-27(15-17-28)18-20-8-11-26-12-9-20/h1-2,4-9,11-12,19H,3,13-18H2/b7-6+