4-benzo[c][1]benzothiepin-5-ylidene-1-[(E)-3-(4-nitrophenyl)prop-2-enyl]piperidine

Systemtic Name: 4-benzo[c][1]benzothiepin-5-ylidene-1-[(E)-3-(4-nitrophenyl)prop-2-enyl]piperidine Openeye Name: 4-benzo[c][1]benzothiepin-5-ylidene-1-[(E)-3-(4-nitrophenyl)allyl]piperidine CAS Name: 4-(5-benzo[c][1]benzothiepinylidene)-1-[(E)-3-(4-nitrophenyl)prop-2-enyl]piperidine IUPAC Name: 4-benzo[c][1]benzothiepin-5-ylidene-1-[(E)-3-(4-nitrophenyl)prop-2-enyl]piperidine Traditional Name: 4-benzo[c][1]benzothiepin-5-ylidene-1-[(E)-3-(4-nitrophenyl)allyl]piperidine Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=S2C=C3C=CC=CC3=CC4=CC=CC=C42)CC=CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1=S2C=C3C=CC=CC3=CC4=CC=CC=C42)C/C=C/C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N2O2S/c31-30(32)26-13-11-22(12-14-26)6-5-17-29-18-15-27(16-19-29)33-21-25-9-2-1-7-23(25)20-24-8-3-4-10-28(24)33/h1-14,20-21H,15-19H2/b6-5+