3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzamide

Systemtic Name: 3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzamide Openeye Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1-carbonyl]benzamide CAS Name: 3-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-oxomethyl]benzamide IUPAC Name: 3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzamide Traditional Name: 3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1-carbonyl]benzamide Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)N

InChI

InChI=1S/C20H28N4O3/c21-19(26)16-6-5-7-17(14-16)20(27)24-12-10-22(11-13-24)15-18(25)23-8-3-1-2-4-9-23/h5-7,14H,1-4,8-13,15H2,(H2,21,26)