N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-acetamidophenyl)methyleneamino]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-acetamidobenzylidene)amino]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H21N5O3/c1-13(2)26-21(29)18-7-5-4-6-17(18)19(25-26)20(28)24-22-12-15-8-10-16(11-9-15)23-14(3)27/h4-13H,1-3H3,(H,23,27)(H,24,28)/b22-12-