N-[4-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]butyl]-3-pyridin-3-yl-propanamide

Systemtic Name: N-[4-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]butyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[4-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]butyl]-3-(3-pyridyl)propanamide CAS Name: N-[4-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidinyl]butyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[4-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]butyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[4-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidino]butyl]-3-(3-pyridyl)propionamide Formula: C31H35N3OS MolecularWeight: 497.6941

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=CC=CC=C3CSC4=CC=CC=C42)CCCCNC(=O)CCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1=C2C3=CC=CC=C3CSC4=CC=CC=C42)CCCCNC(=O)CCC5=CN=CC=C5

InChI

InChI=1S/C31H35N3OS/c35-30(14-13-24-8-7-17-32-22-24)33-18-5-6-19-34-20-15-25(16-21-34)31-27-10-2-1-9-26(27)23-36-29-12-4-3-11-28(29)31/h1-4,7-12,17,22H,5-6,13-16,18-21,23H2,(H,33,35)