3-ethyl-4-oxidanylidene-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]phthalazine-1-carboxamide Openeye Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C27H23N7O2 MolecularWeight: 477.51722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N7O2/c1-2-34-27(36)23-13-7-6-12-22(23)25(32-34)26(35)30-29-16-21-18-33(17-19-9-4-3-5-10-19)31-24(21)20-11-8-14-28-15-20/h3-16,18H,2,17H2,1H3,(H,30,35)/b29-16+