[4-[(5-chloranylthiophen-2-yl)methyl]-1-(3-methoxyphenyl)carbonyl-piperazin-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]-1-(3-methoxyphenyl)carbonyl-piperazin-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]-1-(3-methoxybenzoyl)piperazin-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-[(3-methoxyphenyl)-oxomethyl]-2-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]-1-(3-methoxybenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]-1-m-anisoyl-piperazin-2-yl]-pyrrolidino-methanone Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2C(=O)N3CCCC3)CC4=CC=C(S4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2C(=O)N3CCCC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-29-17-6-4-5-16(13-17)21(27)26-12-11-24(14-18-7-8-20(23)30-18)15-19(26)22(28)25-9-2-3-10-25/h4-8,13,19H,2-3,9-12,14-15H2,1H3