N-[(E)-3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(4-benzhydrylpiperazine-1-carbonyl)-2-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]benzamide CAS Name: N-[(E)-3-[4-(diphenylmethyl)-1-piperazinyl]-3-oxo-1-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(4-benzhydrylpiperazin-1-yl)-3-oxo-1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(4-benzhydrylpiperazine-1-carbonyl)-2-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]benzamide Formula: C41H36N6O2 MolecularWeight: 644.76354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=CC4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6)NC(=O)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C(=C\C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6)/NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C41H36N6O2/c48-40(33-18-9-3-10-19-33)43-37(28-35-30-47(36-21-11-4-12-22-36)44-38(35)34-20-13-23-42-29-34)41(49)46-26-24-45(25-27-46)39(31-14-5-1-6-15-31)32-16-7-2-8-17-32/h1-23,28-30,39H,24-27H2,(H,43,48)/b37-28+