propyl 4-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: propyl 4-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-(benzylamino)phthalazin-1-yl]benzoate CAS Name: 4-[4-[(phenylmethyl)amino]-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-(benzylamino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(benzylamino)phthalazin-1-yl]benzoic acid propyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2/c1-2-16-30-25(29)20-14-12-19(13-15-20)23-21-10-6-7-11-22(21)24(28-27-23)26-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,28)