methyl 1-(1-adamantylimino)-2-cyano-3,10b-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

Systemtic Name: methyl 1-(1-adamantylimino)-2-cyano-3,10b-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate Openeye Name: methyl 1-(1-adamantylimino)-2-cyano-3,10b-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate CAS Name: 1-(1-adamantylimino)-2-cyano-3,10b-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(1-adamantylimino)-2-cyano-3,10b-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate Traditional Name: 1-(1-adamantylimino)-2-cyano-3,10b-dihydropyrrol[2,1-a]isoquinoline-2-carboxylic acid methyl ester Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN2C=CC3=CC=CC=C3C2C1=NC45CC6CC(C4)CC(C6)C5)C#N

Isomeric SMILES

COC(=O)C1(CN2C=CC3=CC=CC=C3C2C1=NC45CC6CC(C4)CC(C6)C5)C#N

InChI

InChI=1S/C25H27N3O2/c1-30-23(29)25(14-26)15-28-7-6-19-4-2-3-5-20(19)21(28)22(25)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,16-18,21H,8-13,15H2,1H3