[4-[5-(azepan-1-yl)-4-phenyl-thiophen-2-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[5-(azepan-1-yl)-4-phenyl-thiophen-2-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[5-(azepan-1-yl)-4-phenyl-thiophene-2-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[5-(1-azepanyl)-4-phenyl-2-thiophenyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[5-(azepan-1-yl)-4-phenylthiophene-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[5-(azepan-1-yl)-4-phenyl-thiophene-2-carbonyl]piperazino]-(2-furyl)methanone Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N3O3S/c30-24(22-11-8-18-32-22)27-14-16-28(17-15-27)25(31)23-19-21(20-9-4-3-5-10-20)26(33-23)29-12-6-1-2-7-13-29/h3-5,8-11,18-19H,1-2,6-7,12-17H2