1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2,3-dihydroindole

Systemtic Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2,3-dihydroindole Openeye Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]indoline CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2,3-dihydroindole IUPAC Name: 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-2,3-dihydroindole Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]indoline Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C18H21N5O2/c24-23(25)16-17(21-10-5-1-2-6-11-21)19-13-20-18(16)22-12-9-14-7-3-4-8-15(14)22/h3-4,7-8,13H,1-2,5-6,9-12H2