[4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-[(5-methylisoxazol-3-yl)methyl]piperazino]-3-nitro-phenyl]-phenyl-methanone Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-16-13-19(23-30-16)15-24-9-11-25(12-10-24)20-8-7-18(14-21(20)26(28)29)22(27)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3