1-[3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-phenyl-isonipecotonitrile Formula: C30H29N3S MolecularWeight: 463.63636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)C#N

InChI

InChI=1S/C30H29N3S/c31-22-29(25-10-2-1-3-11-25)16-19-33(20-17-29)18-8-15-30(23-32)26-12-5-4-9-24(26)21-34-28-14-7-6-13-27(28)30/h1-7,9-14H,8,15-21H2