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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c25-18(22-8-3-1-2-4-9-22)15-21-10-12-23(13-11-21)19(26)20-16-6-5-7-17(14-16)24(27)28/h5-7,14H,1-4,8-13,15H2,(H,20,26)