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

Systemtic Name: N-[4-[(cyclohexylmethylamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[(cyclohexylmethylamino)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[(cyclohexylmethylamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[(cyclohexylmethylamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(cyclohexylmethylamino)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H36N2O2 MolecularWeight: 480.64044

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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)CNCC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CNCC5CCCCC5

InChI

InChI=1S/C32H36N2O2/c1-23-7-11-26(12-8-23)27-13-16-31-29(19-27)20-28(17-18-36-31)32(35)34-30-14-9-25(10-15-30)22-33-21-24-5-3-2-4-6-24/h7-16,19-20,24,33H,2-6,17-18,21-22H2,1H3,(H,34,35)