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

Systemtic Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C30H24N6O3 MolecularWeight: 516.54996

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

Isomeric SMILES

CCCN1C(=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/C30H24N6O3/c1-2-16-35-30(38)24-14-8-7-13-23(24)28(34-35)29(37)32-31-18-21-19-36(22-11-4-3-5-12-22)33-27(21)26-17-20-10-6-9-15-25(20)39-26/h3-15,17-19H,2,16H2,1H3,(H,32,37)/b31-18+