N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C29H22N6O3 MolecularWeight: 502.52338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

InChI

InChI=1S/C29H22N6O3/c1-2-34-29(37)23-14-8-7-13-22(23)27(33-34)28(36)31-30-17-20-18-35(21-11-4-3-5-12-21)32-26(20)25-16-19-10-6-9-15-24(19)38-25/h3-18H,2H2,1H3,(H,31,36)/b30-17+