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

Systemtic Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2,3-dihydroindole Openeye Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]indoline CAS Name: 1-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2,3-dihydroindole IUPAC Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2,3-dihydroindole Traditional Name: 1-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]indoline Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN6O2/c23-17-5-3-6-18(14-17)26-10-12-27(13-11-26)21-20(29(30)31)22(25-15-24-21)28-9-8-16-4-1-2-7-19(16)28/h1-7,14-15H,8-13H2