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

Systemtic Name: ethyl 1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C29H34N6O4 MolecularWeight: 530.61806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H34N6O4/c1-2-39-29(36)24-14-9-15-34(20-24)28-26(35(37)38)27(30-21-31-28)33-18-16-32(17-19-33)25(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,21,24-25H,2,9,14-20H2,1H3