1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]isonipecotamide Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O3/c1-29-21-9-8-20(24)15-19(21)7-10-22(27)26-13-11-18(12-14-26)23(28)25-16-17-5-3-2-4-6-17/h2-10,15,18H,11-14,16H2,1H3,(H,25,28)/b10-7+