1-(azepan-1-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one

Systemtic Name: 1-(azepan-1-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one Openeye Name: 1-(azepan-1-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one CAS Name: 1-(1-azepanylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-indolone IUPAC Name: 1-(azepan-1-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one Traditional Name: 1-(azepan-1-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-3-hydroxy-oxindole Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CN4CCCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CN4CCCCCC4)O)OC

InChI

InChI=1S/C25H30N2O5/c1-31-22-12-11-18(15-23(22)32-2)21(28)16-25(30)19-9-5-6-10-20(19)27(24(25)29)17-26-13-7-3-4-8-14-26/h5-6,9-12,15,30H,3-4,7-8,13-14,16-17H2,1-2H3