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

Systemtic Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-propyl-phthalazine-1-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(N(C(=C3)C)CCOC)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=C(N(C(=C3)C)CCOC)C

InChI

InChI=1S/C22H27N5O3/c1-5-10-27-22(29)19-9-7-6-8-18(19)20(25-27)21(28)24-23-14-17-13-15(2)26(16(17)3)11-12-30-4/h6-9,13-14H,5,10-12H2,1-4H3,(H,24,28)/b23-14+