1-[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-5-thiophen-2-yl-pentane-1,5-dione

Systemtic Name: 1-[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-5-thiophen-2-yl-pentane-1,5-dione Openeye Name: 1-[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]-5-(2-thienyl)pentane-1,5-dione CAS Name: 1-[8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decan-3-yl]-5-thiophen-2-ylpentane-1,5-dione IUPAC Name: 1-[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]-5-thiophen-2-ylpentane-1,5-dione Traditional Name: 1-[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]-5-(2-thienyl)pentane-1,5-dione Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(C2)C(=O)CCCC(=O)C3=CC=CS3)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

C1CN(CCC12CCN(C2)C(=O)CCCC(=O)C3=CC=CS3)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C28H31N3O3S/c32-24(25-10-6-20-35-25)9-5-11-26(33)31-19-14-28(21-31)12-17-30(18-13-28)27(34)22-7-1-2-8-23(22)29-15-3-4-16-29/h1-4,6-8,10,15-16,20H,5,9,11-14,17-19,21H2