N-[3-methyl-4-(5-oxidanylpentan-2-yl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[3-methyl-4-(5-oxidanylpentan-2-yl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(4-hydroxy-1-methyl-butyl)-3-methyl-phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-(5-hydroxypentan-2-yl)-3-methylphenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-(5-hydroxypentan-2-yl)-3-methylphenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-(4-hydroxy-1-methyl-butyl)-3-methyl-phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC(=C(C=C4)C(C)CCCO)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC(=C(C=C4)C(C)CCCO)C

InChI

InChI=1S/C30H33NO3/c1-20-6-8-23(9-7-20)24-10-13-29-26(18-24)19-25(14-16-34-29)30(33)31-27-11-12-28(22(3)17-27)21(2)5-4-15-32/h6-13,17-19,21,32H,4-5,14-16H2,1-3H3,(H,31,33)