(E)-N-[6-[4-(4-bromophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[6-[4-(4-bromophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[6-[4-(4-bromobenzoyl)piperazin-1-yl]-3-pyridyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[6-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridin-3-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[6-[4-(4-bromobenzoyl)piperazino]-3-pyridyl]-3-phenyl-acrylamide Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN4O2/c26-21-9-7-20(8-10-21)25(32)30-16-14-29(15-17-30)23-12-11-22(18-27-23)28-24(31)13-6-19-4-2-1-3-5-19/h1-13,18H,14-17H2,(H,28,31)/b13-6+