N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[(E)-(5-morpholino-2-thienyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-[5-(4-morpholinyl)-2-thiophenyl]methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(E)-(5-morpholino-2-thienyl)methyleneamino]phthalazine-1-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(S3)N4CCOCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(S3)N4CCOCC4

InChI

InChI=1S/C21H23N5O3S/c1-14(2)26-21(28)17-6-4-3-5-16(17)19(24-26)20(27)23-22-13-15-7-8-18(30-15)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)/b22-13+