(E)-N-[2-[2-(5-ethyl-1-methyl-piperidin-2-yl)ethyl]phenyl]-3-phenyl-prop-2-enamide hydrate

Systemtic Name: (E)-N-[2-[2-(5-ethyl-1-methyl-piperidin-2-yl)ethyl]phenyl]-3-phenyl-prop-2-enamide hydrate Openeye Name: (E)-N-[2-[2-(5-ethyl-1-methyl-2-piperidyl)ethyl]phenyl]-3-phenyl-prop-2-enamide hydrate CAS Name: (E)-N-[2-[2-(5-ethyl-1-methyl-2-piperidinyl)ethyl]phenyl]-3-phenyl-2-propenamide hydrate IUPAC Name: (E)-N-[2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]phenyl]-3-phenylprop-2-enamide hydrate Traditional Name: (E)-N-[2-[2-(5-ethyl-1-methyl-2-piperidyl)ethyl]phenyl]-3-phenyl-acrylamide hydrate Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)C)CCC2=CC=CC=C2NC(=O)C=CC3=CC=CC=C3.O

Isomeric SMILES

CCC1CCC(N(C1)C)CCC2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3.O

InChI

InChI=1S/C25H32N2O.H2O/c1-3-20-13-16-23(27(2)19-20)17-15-22-11-7-8-12-24(22)26-25(28)18-14-21-9-5-4-6-10-21;/h4-12,14,18,20,23H,3,13,15-17,19H2,1-2H3,(H,26,28);1H2/b18-14+;