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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)N(C)C)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)N(C)C)OC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O3/c1-19(35-24-8-6-5-7-9-24)26(33)32-27(28-18-20-10-14-22(15-11-20)31(2)3)29-25(30-32)21-12-16-23(34-4)17-13-21/h5-17,19H,18H2,1-4H3,(H,28,29,30)