N-[(Z)-1-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-1-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-2-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(piperidine-1-carbonyl)vinyl]benzamide CAS Name: N-[(Z)-1-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-1-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-2-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1-(piperidine-1-carbonyl)vinyl]benzamide Formula: C31H29BrN4O3 MolecularWeight: 585.49096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C(=O)N3CCCCC3)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C(=O)N3CCCCC3)\NC(=O)C4=CC=CC=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C31H29BrN4O3/c1-39-28-16-15-23(19-26(28)32)29-24(21-36(34-29)25-13-7-3-8-14-25)20-27(31(38)35-17-9-4-10-18-35)33-30(37)22-11-5-2-6-12-22/h2-3,5-8,11-16,19-21H,4,9-10,17-18H2,1H3,(H,33,37)/b27-20-