ethyl 1-[5-nitro-6-(4-prop-2-enyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(4-prop-2-enyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-allyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-prop-2-enyl-1,4-diazepan-1-yl)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-prop-2-enyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-allyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H30N6O4 MolecularWeight: 418.49

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)CC=C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCN(CC3)CC=C

InChI

InChI=1S/C20H30N6O4/c1-3-8-23-9-5-10-24(14-13-23)18-17(26(28)29)19(22-15-21-18)25-11-6-16(7-12-25)20(27)30-4-2/h3,15-16H,1,4-14H2,2H3