2-[5-octyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one

Systemtic Name: 2-[5-octyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Openeye Name: 2-[5-octyl-1-(2-pyridylmethyl)pyrrol-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one CAS Name: 2-[5-octyl-1-(2-pyridinylmethyl)-3-pyrrolyl]-3-(1H-1,2,4-triazol-5-yl)-1-propen-1-one IUPAC Name: 2-[5-octyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Traditional Name: 2-[5-octyl-1-(2-pyridylmethyl)pyrrol-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CN1CC2=CC=CC=N2)C(=C=O)CC3=NC=NN3

Isomeric SMILES

CCCCCCCCC1=CC(=CN1CC2=CC=CC=N2)C(=C=O)CC3=NC=NN3

InChI

InChI=1S/C23H29N5O/c1-2-3-4-5-6-7-11-22-13-19(20(17-29)14-23-25-18-26-27-23)15-28(22)16-21-10-8-9-12-24-21/h8-10,12-13,15,18H,2-7,11,14,16H2,1H3,(H,25,26,27)