1-(azepan-1-yl)-2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazino]ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H28N4O2S/c26-19(24-10-3-1-2-4-11-24)17-22-12-14-25(15-13-22)21(27)20-18(7-16-28-20)23-8-5-6-9-23/h5-9,16H,1-4,10-15,17H2