4-[1-(4-aminophenyl)-1,2-diazepan-4-yl]aniline hydrate tetrahydrochloride

Systemtic Name: 4-[1-(4-aminophenyl)-1,2-diazepan-4-yl]aniline hydrate tetrahydrochloride Openeye Name: 4-[1-(4-aminophenyl)diazepan-4-yl]aniline hydrate tetrahydrochloride CAS Name: 4-[1-(4-aminophenyl)-4-diazepanyl]aniline hydrate tetrahydrochloride IUPAC Name: 4-[1-(4-aminophenyl)diazepan-4-yl]aniline hydrate tetrahydrochloride Traditional Name: [4-[1-(4-aminophenyl)diazepan-4-yl]phenyl]amine hydrate tetrahydrochloride Formula: C17H28Cl4N4O MolecularWeight: 446.24242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNN(C1)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CC(CNN(C1)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/C17H22N4.4ClH.H2O/c18-15-5-3-13(4-6-15)14-2-1-11-21(20-12-14)17-9-7-16(19)8-10-17;;;;;/h3-10,14,20H,1-2,11-12,18-19H2;4*1H;1H2