2-phenyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 2-phenyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 2-phenyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 2-phenyl-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 2-phenyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 2-phenyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2CN1CC3=CC=CN3C4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2CN1CC3=CC=CN3C4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O/c1-2-8-19(9-3-1)23-18-27(16-20-10-4-5-12-22(20)29-23)17-21-11-6-15-28(21)24-25-13-7-14-26-24/h1-15,23H,16-18H2