N-[2-(1,3-diazinan-2-yl)ethyl]-1-(3-methylbutyl)-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-[2-(1,3-diazinan-2-yl)ethyl]-1-(3-methylbutyl)-4-nitro-pyrrole-2-carboxamide Openeye Name: N-(2-hexahydropyrimidin-2-ylethyl)-1-isopentyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-[2-(1,3-diazinan-2-yl)ethyl]-1-(3-methylbutyl)-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-[2-(1,3-diazinan-2-yl)ethyl]-1-(3-methylbutyl)-4-nitropyrrole-2-carboxamide Traditional Name: N-(2-hexahydropyrimidin-2-ylethyl)-1-isoamyl-4-nitro-pyrrole-2-carboxamide Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)NCCC2NCCCN2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)NCCC2NCCCN2)[N+](=O)[O-]

InChI

InChI=1S/C16H27N5O3/c1-12(2)5-9-20-11-13(21(23)24)10-14(20)16(22)19-8-4-15-17-6-3-7-18-15/h10-12,15,17-18H,3-9H2,1-2H3,(H,19,22)