3-[4-[(4-tert-butylphenyl)amino]phthalazin-1-yl]benzamide

Systemtic Name: 3-[4-[(4-tert-butylphenyl)amino]phthalazin-1-yl]benzamide Openeye Name: 3-[4-(4-tert-butylanilino)phthalazin-1-yl]benzamide CAS Name: 3-[4-(4-tert-butylanilino)-1-phthalazinyl]benzamide IUPAC Name: 3-[4-(4-tert-butylanilino)phthalazin-1-yl]benzamide Traditional Name: 3-[4-(4-tert-butylanilino)phthalazin-1-yl]benzamide Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=CC=C4)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=CC=C4)C(=O)N

InChI

InChI=1S/C25H24N4O/c1-25(2,3)18-11-13-19(14-12-18)27-24-21-10-5-4-9-20(21)22(28-29-24)16-7-6-8-17(15-16)23(26)30/h4-15H,1-3H3,(H2,26,30)(H,27,29)