2-(4-methyl-2-phenyl-1,4-diazepan-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-methyl-2-phenyl-1,4-diazepan-1-yl)pyridine-3-carboxylic acid Openeye Name: 2-(4-methyl-2-phenyl-1,4-diazepan-1-yl)pyridine-3-carboxylic acid CAS Name: 2-(4-methyl-2-phenyl-1,4-diazepan-1-yl)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methyl-2-phenyl-1,4-diazepan-1-yl)pyridine-3-carboxylic acid Traditional Name: 2-(4-methyl-2-phenyl-1,4-diazepan-1-yl)nicotinic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CN1CCCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H21N3O2/c1-20-11-6-12-21(16(13-20)14-7-3-2-4-8-14)17-15(18(22)23)9-5-10-19-17/h2-5,7-10,16H,6,11-13H2,1H3,(H,22,23)