(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine

Systemtic Name: (4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine Openeye Name: (4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine CAS Name: (4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-N-[2-(4-methoxyphenyl)ethyl]-4-azepanamine IUPAC Name: (4S)-1-(6-fluoro-4-methylquinazolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azepan-4-amine Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(4-methoxyphenyl)ethyl]amine Formula: C24H29FN4O MolecularWeight: 408.511663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)NCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)NCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29FN4O/c1-17-22-16-19(25)7-10-23(22)28-24(27-17)29-14-3-4-20(12-15-29)26-13-11-18-5-8-21(30-2)9-6-18/h5-10,16,20,26H,3-4,11-15H2,1-2H3/t20-/m0/s1