methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate CAS Name: 1-(1-azepanyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-(azepan-1-yl)isoquinoline-4-carboxylic acid methyl ester Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCCCCC3

InChI

InChI=1S/C17H20N2O2/c1-21-17(20)15-12-18-16(14-9-5-4-8-13(14)15)19-10-6-2-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3