7-methyl-4-(pyridin-3-ylmethyl)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-methyl-4-(pyridin-3-ylmethyl)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-methyl-4-(3-pyridylmethyl)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-methyl-4-(3-pyridinylmethyl)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-methyl-4-(pyridin-3-ylmethyl)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-methyl-4-(3-pyridylmethyl)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)CC3=CN=CC=C3)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)CC3=CN=CC=C3)C4=CSC=C4

InChI

InChI=1S/C20H20N2OS/c1-15-4-5-19-18(9-15)12-22(11-16-3-2-7-21-10-16)13-20(23-19)17-6-8-24-14-17/h2-10,14,20H,11-13H2,1H3