N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine Traditional Name: [1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-homoveratryl-amine Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C26H34N4O2/c1-18-7-9-22-19(2)28-26(29-23(22)16-18)30-14-5-6-21(12-15-30)27-13-11-20-8-10-24(31-3)25(17-20)32-4/h7-10,16-17,21,27H,5-6,11-15H2,1-4H3