7-chloranyl-N-[4-[(2-methylpropylamino)methyl]phenyl]quinolin-4-amine hydrate hydrochloride

Systemtic Name: 7-chloranyl-N-[4-[(2-methylpropylamino)methyl]phenyl]quinolin-4-amine hydrate hydrochloride Openeye Name: 7-chloro-N-[4-[(isobutylamino)methyl]phenyl]quinolin-4-amine hydrate hydrochloride CAS Name: 7-chloro-N-[4-[(2-methylpropylamino)methyl]phenyl]-4-quinolinamine hydrate hydrochloride IUPAC Name: 7-chloro-N-[4-[(2-methylpropylamino)methyl]phenyl]quinolin-4-amine hydrate hydrochloride Traditional Name: (7-chloro-4-quinolyl)-[4-[(isobutylamino)methyl]phenyl]amine hydrate hydrochloride Formula: C20H25Cl2N3O MolecularWeight: 394.338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl.O.Cl

Isomeric SMILES

CC(C)CNCC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl.O.Cl

InChI

InChI=1S/C20H22ClN3.ClH.H2O/c1-14(2)12-22-13-15-3-6-17(7-4-15)24-19-9-10-23-20-11-16(21)5-8-18(19)20;;/h3-11,14,22H,12-13H2,1-2H3,(H,23,24);1H;1H2