N-(1-adamantylmethyl)-5-chloranyl-2-piperazin-1-yl-pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-piperazin-1-yl-pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-piperazin-1-yl-pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-(1-piperazinyl)-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-piperazin-1-ylpyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-piperazino-isonicotinamide Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H29ClN4O/c22-18-12-24-19(26-3-1-23-2-4-26)8-17(18)20(27)25-13-21-9-14-5-15(10-21)7-16(6-14)11-21/h8,12,14-16,23H,1-7,9-11,13H2,(H,25,27)