2-(2,3-dimethoxyindolo[2,3-b]quinoxalin-5-yl)-N,N-diethyl-ethanamine hydrate

Systemtic Name: 2-(2,3-dimethoxyindolo[2,3-b]quinoxalin-5-yl)-N,N-diethyl-ethanamine hydrate Openeye Name: 2-(2,3-dimethoxyindolo[2,3-b]quinoxalin-5-yl)-N,N-diethyl-ethanamine hydrate CAS Name: 2-(2,3-dimethoxy-5-indolo[2,3-b]quinoxalinyl)-N,N-diethylethanamine hydrate IUPAC Name: 2-(2,3-dimethoxyindolo[2,3-b]quinoxalin-5-yl)-N,N-diethylethanamine hydrate Traditional Name: 2-(2,3-dimethoxyindolo[2,3-b]quinoxalin-5-yl)ethyl-diethyl-amine hydrate Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC(=C(C=C2N=C3C1=NC4=CC=CC=C43)OC)OC.O

Isomeric SMILES

CCN(CC)CCN1C2=CC(=C(C=C2N=C3C1=NC4=CC=CC=C43)OC)OC.O

InChI

InChI=1S/C22H26N4O2.H2O/c1-5-25(6-2)11-12-26-18-14-20(28-4)19(27-3)13-17(18)23-21-15-9-7-8-10-16(15)24-22(21)26;/h7-10,13-14H,5-6,11-12H2,1-4H3;1H2