5-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]-2-(2-furyl)oxazole-4-carbonitrile CAS Name: 5-[4-[(3-chloro-1-adamantyl)-oxomethyl]-1-piperazinyl]-2-(2-furanyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(3-chloroadamantane-1-carbonyl)piperazino]-2-(2-furyl)oxazole-4-carbonitrile Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(N=C(O2)C3=CC=CO3)C#N)C(=O)C45CC6CC(C4)CC(C6)(C5)Cl

Isomeric SMILES

C1CN(CCN1C2=C(N=C(O2)C3=CC=CO3)C#N)C(=O)C45CC6CC(C4)CC(C6)(C5)Cl

InChI

InChI=1S/C23H25ClN4O3/c24-23-11-15-8-16(12-23)10-22(9-15,14-23)21(29)28-5-3-27(4-6-28)20-17(13-25)26-19(31-20)18-2-1-7-30-18/h1-2,7,15-16H,3-6,8-12,14H2