4-(butylamino)-N,8-dipropyl-cinnoline-3-carboxamide hydrate hydrochloride

Systemtic Name: 4-(butylamino)-N,8-dipropyl-cinnoline-3-carboxamide hydrate hydrochloride Openeye Name: 4-(butylamino)-N,8-dipropyl-cinnoline-3-carboxamide hydrate hydrochloride CAS Name: 4-(butylamino)-N,8-dipropyl-3-cinnolinecarboxamide hydrate hydrochloride IUPAC Name: 4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide hydrate hydrochloride Traditional Name: 4-(butylamino)-N,8-dipropyl-cinnoline-3-carboxamide hydrate hydrochloride Formula: C19H31ClN4O2 MolecularWeight: 382.92804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=NC2=C1C=CC=C2CCC)C(=O)NCCC.O.Cl

Isomeric SMILES

CCCCNC1=C(N=NC2=C1C=CC=C2CCC)C(=O)NCCC.O.Cl

InChI

InChI=1S/C19H28N4O.ClH.H2O/c1-4-7-13-20-17-15-11-8-10-14(9-5-2)16(15)22-23-18(17)19(24)21-12-6-3;;/h8,10-11H,4-7,9,12-13H2,1-3H3,(H,20,22)(H,21,24);1H;1H2