7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1-(2-thienylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1-(2-thenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C41H49N3O4S MolecularWeight: 679.91046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)CC6=CC=CS6

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)CC6=CC=CS6

InChI

InChI=1S/C41H49N3O4S/c1-3-4-21-46-24-25-48-38-14-9-32(10-15-38)33-11-16-40-35(27-33)28-34(17-20-44(40)30-39-6-5-26-49-39)41(45)42-36-12-7-31(8-13-36)29-43(2)37-18-22-47-23-19-37/h5-16,26-28,37H,3-4,17-25,29-30H2,1-2H3,(H,42,45)