4-azanyl-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide hydrate hydrochloride

Systemtic Name: 4-azanyl-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide hydrate hydrochloride Openeye Name: 4-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide hydrate hydrochloride CAS Name: 4-amino-8-butyl-N-(cyclopropylmethyl)-3-cinnolinecarboxamide hydrate hydrochloride IUPAC Name: 4-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide hydrate hydrochloride Traditional Name: 4-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide hydrate hydrochloride Formula: C17H25ClN4O2 MolecularWeight: 352.859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)NCC3CC3.O.Cl

Isomeric SMILES

CCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)NCC3CC3.O.Cl

InChI

InChI=1S/C17H22N4O.ClH.H2O/c1-2-3-5-12-6-4-7-13-14(18)16(21-20-15(12)13)17(22)19-10-11-8-9-11;;/h4,6-7,11H,2-3,5,8-10H2,1H3,(H2,18,20)(H,19,22);1H;1H2