6-[[[(5S,7S)-3-chloranyl-1-adamantyl]methylamino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(5S,7S)-3-chloranyl-1-adamantyl]methylamino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(5S,7S)-3-chloro-1-adamantyl]methylamino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(5S,7S)-3-chloro-1-adamantyl]methylamino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(5S,7S)-3-chloro-1-adamantyl]methylamino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(5S,7S)-3-chloro-1-adamantyl]methylamino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C19H24ClNO2 MolecularWeight: 333.85236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNCC23CC4CC(C2)CC(C4)(C3)Cl)C1=O

Isomeric SMILES

COC1=CC=CC(=CNCC23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Cl)C1=O

InChI

InChI=1S/C19H24ClNO2/c1-23-16-4-2-3-15(17(16)22)10-21-12-18-6-13-5-14(7-18)9-19(20,8-13)11-18/h2-4,10,13-14,21H,5-9,11-12H2,1H3/t13-,14-,18?,19?/m0/s1