1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3,5-bis[(4-ethylbenzyl)amino]-1,2,4-triazol-1-yl]propan-1-one Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)C(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)CC)C(=O)CC

InChI

InChI=1S/C23H29N5O/c1-4-17-7-11-19(12-8-17)15-24-22-26-23(28(27-22)21(29)6-3)25-16-20-13-9-18(5-2)10-14-20/h7-14H,4-6,15-16H2,1-3H3,(H2,24,25,26,27)