N-[3-(3-methylphenoxy)propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(3-methylphenoxy)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(3-methylphenoxy)propyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-(3-methylphenoxy)propyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(3-methylphenoxy)propyl]phthalazine-1-carboxamide Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3/c1-19-9-7-12-21(17-19)32-16-8-15-27-25(30)24-22-13-5-6-14-23(22)26(31)29(28-24)18-20-10-3-2-4-11-20/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,27,30)