3-[[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanenitrile Openeye Name: 3-[[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanenitrile CAS Name: 3-[[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanenitrile IUPAC Name: 3-[[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanenitrile Traditional Name: 3-[[6-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionitrile Formula: C23H21ClN6O3 MolecularWeight: 464.90424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=C(C=C2)Cl)C3=C(C(=NC=N3)N(CCC#N)CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=C(C=C2)Cl)C3=C(C(=NC=N3)N(CCC#N)CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C23H21ClN6O3/c24-19-6-4-17(5-7-19)18-8-12-28(13-9-18)22-21(30(31)32)23(27-16-26-22)29(11-2-10-25)15-20-3-1-14-33-20/h1,3-8,14,16H,2,9,11-13,15H2