N-[4-(cyclohexylmethoxy)phenyl]-2-methyl-8-nitro-quinolin-4-amine hydrate hydrochloride

Systemtic Name: N-[4-(cyclohexylmethoxy)phenyl]-2-methyl-8-nitro-quinolin-4-amine hydrate hydrochloride Openeye Name: N-[4-(cyclohexylmethoxy)phenyl]-2-methyl-8-nitro-quinolin-4-amine hydrate hydrochloride CAS Name: N-[4-(cyclohexylmethoxy)phenyl]-2-methyl-8-nitro-4-quinolinamine hydrate hydrochloride IUPAC Name: N-[4-(cyclohexylmethoxy)phenyl]-2-methyl-8-nitroquinolin-4-amine hydrate hydrochloride Traditional Name: [4-(cyclohexylmethoxy)phenyl]-(2-methyl-8-nitro-4-quinolyl)amine hydrate hydrochloride Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2[N+](=O)[O-])C(=C1)NC3=CC=C(C=C3)OCC4CCCCC4.O.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2[N+](=O)[O-])C(=C1)NC3=CC=C(C=C3)OCC4CCCCC4.O.Cl

InChI

InChI=1S/C23H25N3O3.ClH.H2O/c1-16-14-21(20-8-5-9-22(26(27)28)23(20)24-16)25-18-10-12-19(13-11-18)29-15-17-6-3-2-4-7-17;;/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,25);1H;1H2