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

Systemtic Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 7-(4-ethoxyphenyl)-1-methylsulfonyl-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-mesyl-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-p-phenetyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C33H39N3O5S MolecularWeight: 589.74486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)S(=O)(=O)C

InChI

InChI=1S/C33H39N3O5S/c1-4-41-31-12-7-25(8-13-31)26-9-14-32-28(21-26)22-27(15-18-36(32)42(3,38)39)33(37)34-29-10-5-24(6-11-29)23-35(2)30-16-19-40-20-17-30/h5-14,21-22,30H,4,15-20,23H2,1-3H3,(H,34,37)