2-(4-phenylpiperazin-1-yl)carbonyl-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile

Systemtic Name: 2-(4-phenylpiperazin-1-yl)carbonyl-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile Openeye Name: 2-(4-phenylpiperazine-1-carbonyl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile CAS Name: 2-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-(1-prop-2-ynyl-3-indolyl)-2-propenenitrile IUPAC Name: 2-(4-phenylpiperazine-1-carbonyl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile Traditional Name: 2-(4-phenylpiperazine-1-carbonyl)-3-(1-propargylindol-3-yl)acrylonitrile Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O/c1-2-12-29-19-21(23-10-6-7-11-24(23)29)17-20(18-26)25(30)28-15-13-27(14-16-28)22-8-4-3-5-9-22/h1,3-11,17,19H,12-16H2