N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-keto-phthalazine-1-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(N(C(=C3)C)CC(C)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=C(N(C(=C3)C)CC(C)C)C

InChI

InChI=1S/C22H27N5O2/c1-6-27-22(29)19-10-8-7-9-18(19)20(25-27)21(28)24-23-12-17-11-15(4)26(16(17)5)13-14(2)3/h7-12,14H,6,13H2,1-5H3,(H,24,28)/b23-12+