(E)-3-phenyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[5-[(4-isopropylphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[5-[(4-propan-2-ylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[5-[(4-isopropylbenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-phenyl-prop-2-en-1-one Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)/C=C/C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H25N5O/c1-19(2)22-13-10-21(11-14-22)17-28-26-29-25(23-9-6-16-27-18-23)30-31(26)24(32)15-12-20-7-4-3-5-8-20/h3-16,18-19H,17H2,1-2H3,(H,28,29,30)/b15-12+