7-(6,8-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(6,8-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(6,8-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(6,8-dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(6,8-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCCN(C4)CC5=CC=CN5C6=NC=CC=N6

Isomeric SMILES

CC1=CC(=NC2=C(C=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCCN(C4)CC5=CC=CN5C6=NC=CC=N6

InChI

InChI=1S/C31H31N5O4/c1-20-13-26(34-29-25(20)16-24(37-2)17-27(29)38-3)21-14-22-18-35(11-12-40-30(22)28(15-21)39-4)19-23-7-5-10-36(23)31-32-8-6-9-33-31/h5-10,13-17H,11-12,18-19H2,1-4H3