2-methyl-N-[2-oxidanylidene-1-(2-oxidanyl-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 2-methyl-N-[2-oxidanylidene-1-(2-oxidanyl-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]cyclohexa-2,4-diene-1-carboxamide Openeye Name: N-[1-(2-hydroxy-2-pyrrolidin-1-yl-ethyl)-2-oxo-azepan-3-yl]-2-methyl-cyclohexa-2,4-diene-1-carboxamide CAS Name: N-[1-[2-hydroxy-2-(1-pyrrolidinyl)ethyl]-2-oxo-3-azepanyl]-2-methyl-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: N-[1-(2-hydroxy-2-pyrrolidin-1-ylethyl)-2-oxoazepan-3-yl]-2-methylcyclohexa-2,4-diene-1-carboxamide Traditional Name: N-[1-(2-hydroxy-2-pyrrolidino-ethyl)-2-keto-azepan-3-yl]-2-methyl-cyclohexa-2,4-diene-1-carboxamide Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCC1C(=O)NC2CCCCN(C2=O)CC(N3CCCC3)O

Isomeric SMILES

CC1=CC=CCC1C(=O)NC2CCCCN(C2=O)CC(N3CCCC3)O

InChI

InChI=1S/C20H31N3O3/c1-15-8-2-3-9-16(15)19(25)21-17-10-4-5-13-23(20(17)26)14-18(24)22-11-6-7-12-22/h2-3,8,16-18,24H,4-7,9-14H2,1H3,(H,21,25)