1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O/c31-23(17-16-20-10-4-1-5-11-20)30-25(27-19-22-14-8-3-9-15-22)28-24(29-30)26-18-21-12-6-2-7-13-21/h1-15H,16-19H2,(H2,26,27,28,29)