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

Systemtic Name: 1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]-2-phenyl-ethanone Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3/c26-21(14-16-4-2-1-3-5-16)24-12-10-23(11-13-24)18-8-9-20(25(27)28)19(15-18)22-17-6-7-17/h1-5,8-9,15,17,22H,6-7,10-14H2