(2S)-8-chloranyl-2-ethyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-8-chloranyl-2-ethyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-8-chloro-2-ethyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-8-chloro-2-ethyl-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-8-chloro-2-ethyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-8-chloro-2-ethyl-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H21ClN4O MolecularWeight: 368.85994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=C(C=C2)Cl)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C20H21ClN4O/c1-2-18-14-24(12-15-6-7-16(21)11-19(15)26-18)13-17-5-3-10-25(17)20-22-8-4-9-23-20/h3-11,18H,2,12-14H2,1H3/t18-/m0/s1