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

Systemtic Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-iodanylphenyl)methanone Openeye Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-iodophenyl)methanone CAS Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-(2-iodophenyl)methanone IUPAC Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-(2-iodophenyl)methanone Traditional Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]-(2-iodophenyl)methanone Formula: C20H21IN4O3 MolecularWeight: 492.31021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4I)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4I)[N+](=O)[O-]

InChI

InChI=1S/C20H21IN4O3/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