1-[4-[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitropyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C22H25ClN6O3 MolecularWeight: 456.9253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(=CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(=CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN6O3/c1-16(30)26-9-2-10-27(14-13-26)21-20(29(31)32)22(25-15-24-21)28-11-7-18(8-12-28)17-3-5-19(23)6-4-17/h3-7,15H,2,8-14H2,1H3