4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-[2-(3-methylphenoxy)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N4O3/c1-19-7-6-8-20(17-19)29-16-9-23-22(28)26-14-12-24(13-15-26)18-21(27)25-10-4-2-3-5-11-25/h6-8,17H,2-5,9-16,18H2,1H3,(H,23,28)