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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-phenylthiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-(3-phenyl-2-thiophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-phenylthiophene-2-carbonyl)piperazino]ethanone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c27-21(25-11-6-1-2-7-12-25)18-24-13-15-26(16-14-24)23(28)22-20(10-17-29-22)19-8-4-3-5-9-19/h3-5,8-10,17H,1-2,6-7,11-16,18H2