N-[3-(azepan-1-yl)propyl]-1-(5-indol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(5-indol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[[5-(1-indolyl)-2-thiophenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(5-indol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C28H36N4O2S MolecularWeight: 492.67604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(S3)N4C=CC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(S3)N4C=CC5=CC=CC=C54

InChI

InChI=1S/C28H36N4O2S/c33-27(29-15-7-18-30-16-5-1-2-6-17-30)23-12-19-31(20-13-23)28(34)25-10-11-26(35-25)32-21-14-22-8-3-4-9-24(22)32/h3-4,8-11,14,21,23H,1-2,5-7,12-13,15-20H2,(H,29,33)