9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-(1H-pyrrol-2-ylmethyl)-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3)C4=CC=CS4

InChI

InChI=1S/C19H20N2O2S/c1-22-17-11-14(18-5-3-9-24-18)10-15-12-21(7-8-23-19(15)17)13-16-4-2-6-20-16/h2-6,9-11,20H,7-8,12-13H2,1H3