(E)-3-[1-[(4-methylphenyl)methyl]-4-phenethyl-pyrrol-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-[(4-methylphenyl)methyl]-4-phenethyl-pyrrol-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-phenethyl-1-(p-tolylmethyl)pyrrol-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[1-[(4-methylphenyl)methyl]-4-phenethyl-2-pyrrolyl]-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-[1-[(4-methylphenyl)methyl]-4-phenethylpyrrol-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(4-methylbenzyl)-4-phenethyl-pyrrol-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=C2C=CC(=O)C3=NC=NN3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=C2/C=C/C(=O)C3=NC=NN3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O/c1-19-7-9-21(10-8-19)16-29-17-22(12-11-20-5-3-2-4-6-20)15-23(29)13-14-24(30)25-26-18-27-28-25/h2-10,13-15,17-18H,11-12,16H2,1H3,(H,26,27,28)/b14-13+