[[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)piperazin-1-yl]-(cyclohexa-2,5-dien-1-ylideneamino)methylidene]vanadium

Systemtic Name: [[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)piperazin-1-yl]-(cyclohexa-2,5-dien-1-ylideneamino)methylidene]vanadium Openeye Name: [[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolyl)piperazin-1-yl]-(cyclohexa-2,5-dien-1-ylideneamino)methylene]vanadium CAS Name: [[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolinyl)-1-piperazinyl]-(1-cyclohexa-2,5-dienylideneamino)methylidene]vanadium IUPAC Name: [[4-(3-cyano-6-methoxy-7-prop-2-ynoxyquinolin-4-yl)piperazin-1-yl]-(cyclohexa-2,5-dien-1-ylideneamino)methylidene]vanadium Traditional Name: [[4-(3-cyano-6-methoxy-7-propargyloxy-4-quinolyl)piperazino]-(cyclohexa-2,5-dien-1-ylideneamino)methylene]vanadium Formula: C25H23N5O2V MolecularWeight: 476.42392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=[V])N=C4C=CCC=C4)OCC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=[V])N=C4C=CCC=C4)OCC#C

InChI

InChI=1S/C25H23N5O2.V/c1-3-13-32-24-15-22-21(14-23(24)31-2)25(19(16-26)17-27-22)30-11-9-29(10-12-30)18-28-20-7-5-4-6-8-20;/h1,5-8,14-15,17H,4,9-13H2,2H3;