2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carboxylate

Systemtic Name: 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carboxylate Openeye Name: 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carboxylate CAS Name: 2-(1-azepanyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylate IUPAC Name: 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carboxylate Traditional Name: 2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carboxylate Formula: C15H20N3O2- MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C3CCCCC3=N2)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C3CCCCC3=N2)C(=O)[O-]

InChI

InChI=1S/C15H21N3O2/c19-14(20)13-11-7-3-4-8-12(11)16-15(17-13)18-9-5-1-2-6-10-18/h1-10H2,(H,19,20)/p-1