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

Systemtic Name: N-[4-[(2-ethylbutylamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[(2-ethylbutylamino)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[(2-ethylbutylamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[(2-ethylbutylamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(2-ethylbutylamino)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C31H36N2O2 MolecularWeight: 468.62974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2

Isomeric SMILES

CCC(CC)CNCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2

InChI

InChI=1S/C31H36N2O2/c1-4-23(5-2)20-32-21-24-8-13-29(14-9-24)33-31(34)27-16-17-35-30-15-12-26(18-28(30)19-27)25-10-6-22(3)7-11-25/h6-15,18-19,23,32H,4-5,16-17,20-21H2,1-3H3,(H,33,34)