(4-azanyl-8-propyl-cinnolin-3-yl)-piperidin-1-yl-methanone hydrate hydrochloride

Systemtic Name: (4-azanyl-8-propyl-cinnolin-3-yl)-piperidin-1-yl-methanone hydrate hydrochloride Openeye Name: (4-amino-8-propyl-cinnolin-3-yl)-(1-piperidyl)methanone hydrate hydrochloride CAS Name: (4-amino-8-propyl-3-cinnolinyl)-(1-piperidinyl)methanone hydrate hydrochloride IUPAC Name: (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone hydrate hydrochloride Traditional Name: (4-amino-8-propyl-cinnolin-3-yl)-piperidino-methanone hydrate hydrochloride Formula: C17H25ClN4O2 MolecularWeight: 352.859

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1N=NC(=C2N)C(=O)N3CCCCC3.O.Cl

Isomeric SMILES

CCCC1=CC=CC2=C1N=NC(=C2N)C(=O)N3CCCCC3.O.Cl

InChI

InChI=1S/C17H22N4O.ClH.H2O/c1-2-7-12-8-6-9-13-14(18)16(20-19-15(12)13)17(22)21-10-4-3-5-11-21;;/h6,8-9H,2-5,7,10-11H2,1H3,(H2,18,19);1H;1H2