heptyl 2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: heptyl 2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-cyano-2-[3-[4-[(E)-styryl]piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[(E)-2-phenylethenyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-[(E)-styryl]piperazino]quinoxalin-2-yl]acetic acid heptyl ester Formula: C30H35N5O2 MolecularWeight: 497.6312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C30H35N5O2/c1-2-3-4-5-11-22-37-30(36)25(23-31)28-29(33-27-15-10-9-14-26(27)32-28)35-20-18-34(19-21-35)17-16-24-12-7-6-8-13-24/h6-10,12-17,25H,2-5,11,18-22H2,1H3/b17-16+