[4-(1-adamantyl)piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]-2-furyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[5-[(4-nitrophenoxy)methyl]-2-furanyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-[5-[(4-nitrophenoxy)methyl]-2-furyl]methanone Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H31N3O5/c30-25(24-6-5-23(34-24)17-33-22-3-1-21(2-4-22)29(31)32)27-7-9-28(10-8-27)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-6,18-20H,7-17H2