phenanthridin-6-ylmethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: phenanthridin-6-ylmethyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid phenanthridin-6-ylmethyl ester Formula: C26H21N3O3 MolecularWeight: 423.46324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C26H21N3O3/c1-2-15-29-25(30)21-13-6-5-12-20(21)24(28-29)26(31)32-16-23-19-11-4-3-9-17(19)18-10-7-8-14-22(18)27-23/h3-14H,2,15-16H2,1H3