[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(2-chlorobenzyl)amino]-3-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H21ClN6O3 MolecularWeight: 452.89354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN6O3/c23-18-5-2-1-4-17(18)15-26-19-7-6-16(14-20(19)29(31)32)21(30)27-10-12-28(13-11-27)22-24-8-3-9-25-22/h1-9,14,26H,10-13,15H2