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

Systemtic Name: [4-[4-[(2-chlorophenyl)methylamino]-3-nitro-phenyl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-[(2-chlorophenyl)methylamino]-3-nitro-benzoyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-[(2-chlorobenzyl)amino]-3-nitro-benzoyl]piperazino]-phenyl-methanone Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H23ClN4O4/c26-21-9-5-4-8-20(21)17-27-22-11-10-19(16-23(22)30(33)34)25(32)29-14-12-28(13-15-29)24(31)18-6-2-1-3-7-18/h1-11,16,27H,12-15,17H2