N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride Traditional Name: (2,5-diethoxy-4-morpholino-phenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine hydrochloride Formula: C20H32ClN3O3 MolecularWeight: 397.93938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC3=NCCCCC3.Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC3=NCCCCC3.Cl

InChI

InChI=1S/C20H31N3O3.ClH/c1-3-25-18-15-17(23-10-12-24-13-11-23)19(26-4-2)14-16(18)22-20-8-6-5-7-9-21-20;/h14-15H,3-13H2,1-2H3,(H,21,22);1H