[3-nitro-4-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[(1-pyrimidin-2-yl-3-piperidyl)amino]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[[1-(2-pyrimidinyl)-3-piperidinyl]amino]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[[1-(2-pyrimidyl)-3-piperidyl]amino]phenyl]-phenyl-methanone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c28-21(16-6-2-1-3-7-16)17-9-10-19(20(14-17)27(29)30)25-18-8-4-13-26(15-18)22-23-11-5-12-24-22/h1-3,5-7,9-12,14,18,25H,4,8,13,15H2