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

Systemtic Name: ethyl 4-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(benzylamino)phthalazin-1-yl]benzoate CAS Name: 4-[4-[(phenylmethyl)amino]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzylamino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(benzylamino)phthalazin-1-yl]benzoic acid ethyl ester Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2/c1-2-29-24(28)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(27-26-22)25-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27)