N,N-diethyl-2-[4-[4-[(phenylmethyl)amino]phthalazin-1-yl]phenoxy]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-[(phenylmethyl)amino]phthalazin-1-yl]phenoxy]ethanamide Openeye Name: 2-[4-[4-(benzylamino)phthalazin-1-yl]phenoxy]-N,N-diethyl-acetamide CAS Name: N,N-diethyl-2-[4-[4-[(phenylmethyl)amino]-1-phthalazinyl]phenoxy]acetamide IUPAC Name: 2-[4-[4-(benzylamino)phthalazin-1-yl]phenoxy]-N,N-diethylacetamide Traditional Name: 2-[4-[4-(benzylamino)phthalazin-1-yl]phenoxy]-N,N-diethyl-acetamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-3-31(4-2)25(32)19-33-22-16-14-21(15-17-22)26-23-12-8-9-13-24(23)27(30-29-26)28-18-20-10-6-5-7-11-20/h5-17H,3-4,18-19H2,1-2H3,(H,28,30)