7-fluoranyl-3-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-1,4-benzoxazepine

Systemtic Name: 7-fluoranyl-3-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-1,4-benzoxazepine Openeye Name: 7-fluoro-3-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-1,4-benzoxazepine CAS Name: 7-fluoro-3-methyl-4-[4-[4-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-5H-1,4-benzoxazepine IUPAC Name: 7-fluoro-3-methyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-1,4-benzoxazepine Traditional Name: 7-fluoro-3-methyl-4-[4-[4-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-5H-1,4-benzoxazepine Formula: C23H27FN4O MolecularWeight: 394.485083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(CN1CCCCN3CCC(=CC3)C4=NC=CC=N4)C=C(C=C2)F

Isomeric SMILES

CC1=COC2=C(CN1CCCCN3CCC(=CC3)C4=NC=CC=N4)C=C(C=C2)F

InChI

InChI=1S/C23H27FN4O/c1-18-17-29-22-6-5-21(24)15-20(22)16-28(18)12-3-2-11-27-13-7-19(8-14-27)23-25-9-4-10-26-23/h4-7,9-10,15,17H,2-3,8,11-14,16H2,1H3