2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]cyclopentyl]-6-nitro-1,3-benzoxazole

Systemtic Name: 2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]cyclopentyl]-6-nitro-1,3-benzoxazole Openeye Name: 2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]cyclopentyl]-6-nitro-1,3-benzoxazole CAS Name: 2-[3-[4-(3,4-dichlorophenyl)-1-piperazinyl]cyclopentyl]-6-nitro-1,3-benzoxazole IUPAC Name: 2-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]cyclopentyl]-6-nitro-1,3-benzoxazole Traditional Name: 2-[3-[4-(3,4-dichlorophenyl)piperazino]cyclopentyl]-6-nitro-1,3-benzoxazole Formula: C22H22Cl2N4O3 MolecularWeight: 461.34108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CC(CC1C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4O3/c23-18-5-3-16(12-19(18)24)27-9-7-26(8-10-27)15-2-1-14(11-15)22-25-20-6-4-17(28(29)30)13-21(20)31-22/h3-6,12-15H,1-2,7-11H2