N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]nicotinamide Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O2/c26-22-17-21(28-25(32)20-7-4-12-27-18-20)9-10-23(22)29-13-15-30(16-14-29)24(31)11-8-19-5-2-1-3-6-19/h1-12,17-18H,13-16H2,(H,28,32)/b11-8+