N-[4-(3-chlorophenyl)-2-nitro-phenyl]-1-pyrimidin-2-yl-piperidin-4-amine

Systemtic Name: N-[4-(3-chlorophenyl)-2-nitro-phenyl]-1-pyrimidin-2-yl-piperidin-4-amine Openeye Name: N-[4-(3-chlorophenyl)-2-nitro-phenyl]-1-pyrimidin-2-yl-piperidin-4-amine CAS Name: N-[4-(3-chlorophenyl)-2-nitrophenyl]-1-(2-pyrimidinyl)-4-piperidinamine IUPAC Name: N-[4-(3-chlorophenyl)-2-nitrophenyl]-1-pyrimidin-2-ylpiperidin-4-amine Traditional Name: [4-(3-chlorophenyl)-2-nitro-phenyl]-[1-(2-pyrimidyl)-4-piperidyl]amine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C21H20ClN5O2/c22-17-4-1-3-15(13-17)16-5-6-19(20(14-16)27(28)29)25-18-7-11-26(12-8-18)21-23-9-2-10-24-21/h1-6,9-10,13-14,18,25H,7-8,11-12H2