9-methoxy-7-quinolin-3-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-7-quinolin-3-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(3-quinolyl)-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(3-quinolinyl)-4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-quinolin-3-yl-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(3-quinolyl)-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=NC=CS4)C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=NC=CS4)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C27H24N4O2S/c1-32-25-15-20(21-13-19-5-2-3-7-24(19)29-16-21)14-22-17-30(10-11-33-26(22)25)18-23-6-4-9-31(23)27-28-8-12-34-27/h2-9,12-16H,10-11,17-18H2,1H3