1-[(3Z)-3-(7-methoxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[(3Z)-3-(7-methoxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[(3Z)-3-(7-methoxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(3Z)-3-(7-methoxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[(3Z)-3-(7-methoxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(3Z)-3-(7-methoxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-phenyl-isonipecotonitrile Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CC(=CCCN3CCC(CC3)(C#N)C4=CC=CC=C4)C5=C(O2)N=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1C/C(=C/CCN3CCC(CC3)(C#N)C4=CC=CC=C4)/C5=C(O2)N=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-33-26-12-5-13-27-25(26)20-22(24-11-6-16-31-28(24)34-27)8-7-17-32-18-14-29(21-30,15-19-32)23-9-3-2-4-10-23/h2-6,8-13,16H,7,14-15,17-20H2,1H3/b22-8-