6-[(4-azanyl-4-prop-2-enyl-1-adamantyl)oxy]-7-chloranyl-8aH-isoquinolin-1-one

Systemtic Name: 6-[(4-azanyl-4-prop-2-enyl-1-adamantyl)oxy]-7-chloranyl-8aH-isoquinolin-1-one Openeye Name: 6-[(4-allyl-4-amino-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one CAS Name: 6-[(4-amino-4-prop-2-enyl-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one IUPAC Name: 6-[(4-amino-4-prop-2-enyl-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one Traditional Name: 6-[(4-allyl-4-amino-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C2CC3CC1CC(C3)(C2)OC4=CC5=CC=NC(=O)C5C=C4Cl)N

Isomeric SMILES

C=CCC1(C2CC3CC1CC(C3)(C2)OC4=CC5=CC=NC(=O)C5C=C4Cl)N

InChI

InChI=1S/C22H25ClN2O2/c1-2-4-22(24)15-6-13-7-16(22)12-21(10-13,11-15)27-19-8-14-3-5-25-20(26)17(14)9-18(19)23/h2-3,5,8-9,13,15-17H,1,4,6-7,10-12,24H2