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

Systemtic Name: 2-methyl-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 2-methyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 2-methyl-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 2-methyl-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 2-methyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=CC=CC=C2O1)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CC1CN(CC2=CC=CC=C2O1)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C20H21N3O/c1-16-13-22(14-17-6-2-3-9-20(17)24-16)15-19-8-5-11-23(19)18-7-4-10-21-12-18/h2-12,16H,13-15H2,1H3