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

Systemtic Name: 4-oxidanylidene-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C28H25N7O2 MolecularWeight: 491.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=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/C28H25N7O2/c1-2-15-35-28(37)24-13-7-6-12-23(24)26(33-35)27(36)31-30-17-22-19-34(18-20-9-4-3-5-10-20)32-25(22)21-11-8-14-29-16-21/h3-14,16-17,19H,2,15,18H2,1H3,(H,31,36)/b30-17+