N-[(2-methylphenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-N-(o-tolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(2-methylbenzyl)-N-[(1R)-1-methyl-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C(C)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1CN([C@H](C)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C28H31NO3/c1-21-9-6-7-12-25(21)20-29(22(2)13-14-23-10-4-3-5-11-23)28(30)24-15-16-26-27(19-24)32-18-8-17-31-26/h3-7,9-12,15-16,19,22H,8,13-14,17-18,20H2,1-2H3/t22-/m1/s1