7-(1-benzothiophen-3-yl)-4-(1-methylpiperidin-4-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1-benzothiophen-3-yl)-4-(1-methylpiperidin-4-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-4-(1-methyl-4-piperidyl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-4-(1-methyl-4-piperidinyl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-4-(1-methylpiperidin-4-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-4-(1-methyl-4-piperidyl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

CN1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C30H33N3O2S/c1-32-13-9-25(10-14-32)33-15-17-35-30-23(20-33)18-22(27-21-36-29-8-3-2-7-26(27)29)19-28(30)34-16-11-24-6-4-5-12-31-24/h2-8,12,18-19,21,25H,9-11,13-17,20H2,1H3