4-azanyl-8-(cyclopentylmethyl)-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride

Systemtic Name: 4-azanyl-8-(cyclopentylmethyl)-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride Openeye Name: 4-amino-8-(cyclopentylmethyl)-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride CAS Name: 4-amino-8-(cyclopentylmethyl)-N-propyl-3-cinnolinecarboxamide hydrate hydrochloride IUPAC Name: 4-amino-8-(cyclopentylmethyl)-N-propylcinnoline-3-carboxamide hydrate hydrochloride Traditional Name: 4-amino-8-(cyclopentylmethyl)-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride Formula: C18H27ClN4O2 MolecularWeight: 366.88558

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C2=C(C(=CC=C2)CC3CCCC3)N=N1)N.O.Cl

Isomeric SMILES

CCCNC(=O)C1=C(C2=C(C(=CC=C2)CC3CCCC3)N=N1)N.O.Cl

InChI

InChI=1S/C18H24N4O.ClH.H2O/c1-2-10-20-18(23)17-15(19)14-9-5-8-13(16(14)21-22-17)11-12-6-3-4-7-12;;/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,19,21)(H,20,23);1H;1H2