7-chloranyl-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-chloranyl-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-chloro-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-chloro-2-methyl-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-chloro-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-chloro-2-methyl-4-[4-(2-pyrimidyloxy)benzyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)Cl)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CC1CN(CC2=C(O1)C=CC(=C2)Cl)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C21H20ClN3O2/c1-15-12-25(14-17-11-18(22)5-8-20(17)26-15)13-16-3-6-19(7-4-16)27-21-23-9-2-10-24-21/h2-11,15H,12-14H2,1H3