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

Systemtic Name: (3-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-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=C4)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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