2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-[(4-methoxyanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-[(4-methoxyphenyl)carbamoyl]acetamide Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N5O4/c1-31-19-8-6-18(7-9-19)23-22(30)24-20(28)16-25-12-14-26(15-13-25)17-21(29)27-10-4-2-3-5-11-27/h6-9H,2-5,10-17H2,1H3,(H2,23,24,28,30)