ethyl (E)-7-(benzotriazol-1-yl)-7-(4-phenylpiperazin-1-yl)hept-2-enoate

Systemtic Name: ethyl (E)-7-(benzotriazol-1-yl)-7-(4-phenylpiperazin-1-yl)hept-2-enoate Openeye Name: ethyl (E)-7-(benzotriazol-1-yl)-7-(4-phenylpiperazin-1-yl)hept-2-enoate CAS Name: (E)-7-(1-benzotriazolyl)-7-(4-phenyl-1-piperazinyl)-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-(benzotriazol-1-yl)-7-(4-phenylpiperazin-1-yl)hept-2-enoate Traditional Name: (E)-7-(benzotriazol-1-yl)-7-(4-phenylpiperazino)hept-2-enoic acid ethyl ester Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC(N1CCN(CC1)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)/C=C/CCCC(N1CCN(CC1)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H31N5O2/c1-2-32-25(31)16-8-4-7-15-24(30-23-14-10-9-13-22(23)26-27-30)29-19-17-28(18-20-29)21-11-5-3-6-12-21/h3,5-6,8-14,16,24H,2,4,7,15,17-20H2,1H3/b16-8+