1-(azepan-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(azepan-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(azepan-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(1-azepanyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(azepan-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(azepan-1-yl)isoquinoline-3-carboxylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18N2O2/c19-16(20)14-11-12-7-3-4-8-13(12)15(17-14)18-9-5-1-2-6-10-18/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,20)