ethyl 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28ClN7O4 MolecularWeight: 489.95522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H28ClN7O4/c1-2-34-22(31)29-8-6-17(7-9-29)26-20-19(30(32)33)21(25-15-24-20)28-12-10-27(11-13-28)18-5-3-4-16(23)14-18/h3-5,14-15,17H,2,6-13H2,1H3,(H,24,25,26)