2-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-6-piperidin-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-6-piperidin-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[1-(4-fluorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-6-(1-piperidyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-6-piperidino-benzo[de]isoquinoline-1,3-quinone Formula: C28H24FN5O3 MolecularWeight: 497.520263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=NN(C(=O)C1=CNN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C28H24FN5O3/c1-17-23(28(37)33(31-17)19-10-8-18(29)9-11-19)16-30-34-26(35)21-7-5-6-20-24(32-14-3-2-4-15-32)13-12-22(25(20)21)27(34)36/h5-13,16,30H,2-4,14-15H2,1H3