(2-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O3/c21-17-4-2-1-3-16(17)20(26)24-11-9-23(10-12-24)15-7-8-19(25(27)28)18(13-15)22-14-5-6-14/h1-4,7-8,13-14,22H,5-6,9-12H2