7-(4-methylphenyl)-2-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 7-(4-methylphenyl)-2-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 2-phenyl-N-[4-(1-piperidylmethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-2-phenyl-N-[4-(1-piperidinylmethyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-2-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 2-phenyl-N-[4-(piperidinomethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C36H36N2O2 MolecularWeight: 528.68324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(CC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(CC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C36H36N2O2/c1-26-10-14-28(15-11-26)30-16-19-34-31(22-30)23-32(24-35(40-34)29-8-4-2-5-9-29)36(39)37-33-17-12-27(13-18-33)25-38-20-6-3-7-21-38/h2,4-5,8-19,22-23,35H,3,6-7,20-21,24-25H2,1H3,(H,37,39)