(4-tert-butylphenyl)-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone Openeye Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone CAS Name: (4-tert-butylphenyl)-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O/c1-25(2,3)21-13-11-19(12-14-21)23(31)30-24(27-16-18-8-5-4-6-9-18)28-22(29-30)20-10-7-15-26-17-20/h4-15,17H,16H2,1-3H3,(H,27,28,29)