1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-(4-methylphenyl)piperidin-4-ol

Systemtic Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-(4-methylphenyl)piperidin-4-ol Openeye Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-(p-tolyl)piperidin-4-ol CAS Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-(4-methylphenyl)-4-piperidinol IUPAC Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-(4-methylphenyl)piperidin-4-ol Traditional Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-(p-tolyl)piperidin-4-ol Formula: C30H32N2OS MolecularWeight: 468.65288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)[N+]#[C-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCN(CC2)CCCC3(C4=CC=CC=C4CSC5=CC=CC=C53)[N+]#[C-])O

InChI

InChI=1S/C30H32N2OS/c1-23-12-14-25(15-13-23)29(33)17-20-32(21-18-29)19-7-16-30(31-2)26-9-4-3-8-24(26)22-34-28-11-6-5-10-27(28)30/h3-6,8-15,33H,7,16-22H2,1H3