N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]benzamide CAS Name: N-[(Z)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]benzamide Formula: C29H26N6O2S MolecularWeight: 522.62074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)NCCCN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C29H26N6O2S/c36-28(22-9-3-1-4-10-22)32-25(29(37)31-14-8-16-34-17-15-30-21-34)19-23-20-35(24-11-5-2-6-12-24)33-27(23)26-13-7-18-38-26/h1-7,9-13,15,17-21H,8,14,16H2,(H,31,37)(H,32,36)/b25-19-