(E)-3-(3-nitrophenyl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-2-phenyl-N-[[4-(1-piperidyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-2-phenyl-N-[[4-(1-piperidinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-2-phenyl-N-(4-piperidinobenzyl)acrylamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c31-27(28-20-21-12-14-24(15-13-21)29-16-5-2-6-17-29)26(23-9-3-1-4-10-23)19-22-8-7-11-25(18-22)30(32)33/h1,3-4,7-15,18-19H,2,5-6,16-17,20H2,(H,28,31)/b26-19+