[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: [4-[3-(methylamino)-4-nitrophenyl]-1-piperazinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazino]methanone Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C21H26N4O4/c1-15(2)29-18-6-4-5-16(13-18)21(26)24-11-9-23(10-12-24)17-7-8-20(25(27)28)19(14-17)22-3/h4-8,13-15,22H,9-12H2,1-3H3