1-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3-(5-bromo-2-methoxy-phenyl)acryloyl]-4-phenyl-isonipecotonitrile Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O2/c1-27-20-9-8-19(23)15-17(20)7-10-21(26)25-13-11-22(16-24,12-14-25)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3