1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(4-methyl-1,4-diazepan-1-yl)isoquinoline-3-carboxylic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H19N3O2/c1-18-7-4-8-19(10-9-18)15-13-6-3-2-5-12(13)11-14(17-15)16(20)21/h2-3,5-6,11H,4,7-10H2,1H3,(H,20,21)