N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-amine

Systemtic Name: N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-amine Openeye Name: N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-amine CAS Name: N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanamine IUPAC Name: N-[(2,6-dimethoxyphenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine Traditional Name: (2,6-dimethoxybenzyl)-[1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]amine Formula: C24H29FN4O2 MolecularWeight: 424.511063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)NCC4=C(C=CC=C4OC)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)NCC4=C(C=CC=C4OC)OC

InChI

InChI=1S/C24H29FN4O2/c1-16-19-14-17(25)9-10-21(19)28-24(27-16)29-12-5-6-18(11-13-29)26-15-20-22(30-2)7-4-8-23(20)31-3/h4,7-10,14,18,26H,5-6,11-13,15H2,1-3H3