N-(1,3-benzodioxol-5-ylmethyl)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine Traditional Name: [1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-piperonyl-amine Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25FN4O2/c1-15-19-12-17(24)5-6-20(19)27-23(26-15)28-9-2-3-18(8-10-28)25-13-16-4-7-21-22(11-16)30-14-29-21/h4-7,11-12,18,25H,2-3,8-10,13-14H2,1H3