N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-pyridyl)vinyl]-4-methyl-benzamide CAS Name: N-[(Z)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-pyridyl)vinyl]-4-methyl-benzamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CN=CC=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN=CC=C2)/C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C22H23N5O2/c1-17-5-7-19(8-6-17)21(28)26-20(14-18-4-2-9-23-15-18)22(29)25-10-3-12-27-13-11-24-16-27/h2,4-9,11,13-16H,3,10,12H2,1H3,(H,25,29)(H,26,28)/b20-14-