N-(1-adamantyl)-4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-(4-chloro-2-nitro-phenyl)piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-(4-chloro-2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-(4-chloro-2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(4-chloro-2-nitro-phenyl)piperazine-1-carboxamide Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27ClN4O3/c22-17-1-2-18(19(10-17)26(28)29)24-3-5-25(6-4-24)20(27)23-21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2,(H,23,27)