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

Systemtic Name: ethyl 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C22H27ClN6O4 MolecularWeight: 474.94058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H27ClN6O4/c1-2-33-22(30)16-5-4-8-28(14-16)21-19(29(31)32)20(24-15-25-21)27-11-9-26(10-12-27)18-7-3-6-17(23)13-18/h3,6-7,13,15-16H,2,4-5,8-12,14H2,1H3