N-(1-adamantylmethyl)-6-chloranyl-2-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)piperidin-1-yl]quinoline-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-chloranyl-2-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)piperidin-1-yl]quinoline-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)-1-piperidyl]quinoline-5-carboxamide CAS Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)-1-piperidinyl]-5-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)piperidin-1-yl]quinoline-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-6-chloro-2-[4-(5-keto-1H-1,2,4-triazol-4-yl)piperidino]quinoline-5-carboxamide Formula: C28H33ClN6O2 MolecularWeight: 521.05362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NNC2=O)C3=NC4=C(C=C3)C(=C(C=C4)Cl)C(=O)NCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCC1N2C=NNC2=O)C3=NC4=C(C=C3)C(=C(C=C4)Cl)C(=O)NCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H33ClN6O2/c29-22-2-3-23-21(1-4-24(32-23)34-7-5-20(6-8-34)35-16-31-33-27(35)37)25(22)26(36)30-15-28-12-17-9-18(13-28)11-19(10-17)14-28/h1-4,16-20H,5-15H2,(H,30,36)(H,33,37)