1,4-diazepan-1-yl-[4-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-nitro-phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-nitrophenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[4-(2,4-dichlorobenzoyl)piperazino]-3-nitro-phenyl]methanone Formula: C23H25Cl2N5O4 MolecularWeight: 506.3817

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25Cl2N5O4/c24-17-3-4-18(19(25)15-17)23(32)29-12-10-27(11-13-29)20-5-2-16(14-21(20)30(33)34)22(31)28-8-1-6-26-7-9-28/h2-5,14-15,26H,1,6-13H2