[2-methoxy-5-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-methoxy-5-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [2-methoxy-5-[[4-(p-tolyl)phthalazin-1-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [2-methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-methoxy-5-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [2-methoxy-5-[[4-(p-tolyl)phthalazin-1-yl]amino]phenyl]-piperidino-methanone Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5

InChI

InChI=1S/C28H28N4O2/c1-19-10-12-20(13-11-19)26-22-8-4-5-9-23(22)27(31-30-26)29-21-14-15-25(34-2)24(18-21)28(33)32-16-6-3-7-17-32/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31)