cyclopentyl-[4-(3-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopentyl-[4-(3-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclopentyl-[4-(3-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: cyclopentyl-[4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopentyl-[4-(3-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclopentyl-[4-(3-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3/c21-16(13-5-1-2-6-13)19-10-4-9-18(11-12-19)15-14(20(22)23)7-3-8-17-15/h3,7-8,13H,1-2,4-6,9-12H2