6-(azepin-1-yl)-N4-[(1-ethylpyrrolidin-2-yl)methyl]-N2-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazinane-2,4-diamine

Systemtic Name: 6-(azepin-1-yl)-N4-[(1-ethylpyrrolidin-2-yl)methyl]-N2-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazinane-2,4-diamine Openeye Name: 6-(azepin-1-yl)-N4-[(1-ethylpyrrolidin-2-yl)methyl]-N2-(3-fluoro-4-methoxy-phenyl)-1,3,5-triazinane-2,4-diamine CAS Name: 6-(1-azepinyl)-N4-[(1-ethyl-2-pyrrolidinyl)methyl]-N2-(3-fluoro-4-methoxyphenyl)-1,3,5-triazinane-2,4-diamine IUPAC Name: 6-(azepin-1-yl)-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazinane-2,4-diamine Traditional Name: [4-(azepin-1-yl)-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazinan-2-yl]-(3-fluoro-4-methoxy-phenyl)amine Formula: C23H34FN7O MolecularWeight: 443.560763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2NC(NC(N2)N3C=CC=CC=C3)NC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCN1CCCC1CNC2NC(NC(N2)N3C=CC=CC=C3)NC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H34FN7O/c1-3-30-14-8-9-18(30)16-25-21-27-22(26-17-10-11-20(32-2)19(24)15-17)29-23(28-21)31-12-6-4-5-7-13-31/h4-7,10-13,15,18,21-23,25-29H,3,8-9,14,16H2,1-2H3