9-[(1-methylpiperidin-3-yl)methoxy]-7-(5-methylthiophen-2-yl)-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-[(1-methylpiperidin-3-yl)methoxy]-7-(5-methylthiophen-2-yl)-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-[(1-methyl-3-piperidyl)methoxy]-7-(5-methyl-2-thienyl)-4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-[(1-methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thiophenyl)-4-(2-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-[(1-methylpiperidin-3-yl)methoxy]-7-(5-methylthiophen-2-yl)-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-[(1-methyl-3-piperidyl)methoxy]-7-(5-methyl-2-thienyl)-4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCN(C4)C)OCCN(C3)CC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCN(C4)C)OCCN(C3)CC5=CC=CC=N5

InChI

InChI=1S/C27H33N3O2S/c1-20-8-9-26(33-20)22-14-23-17-30(18-24-7-3-4-10-28-24)12-13-31-27(23)25(15-22)32-19-21-6-5-11-29(2)16-21/h3-4,7-10,14-15,21H,5-6,11-13,16-19H2,1-2H3