1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O/c1-20-9-14-23(15-10-20)26-29-27(28-19-22-11-16-24(17-12-22)31(2)3)32(30-26)25(33)18-13-21-7-5-4-6-8-21/h4-12,14-17H,13,18-19H2,1-3H3,(H,28,29,30)