N-[(1R)-1-phenylethyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(1R)-1-phenylethyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1R)-1-phenylethyl]-N-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1R)-1-phenylethyl]-N-(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1R)-1-phenylethyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1R)-1-phenylethyl]-N-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(CC2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H24N2O3/c1-18(19-8-3-2-4-9-19)26(17-21-10-5-6-13-25-21)24(27)20-11-12-22-23(16-20)29-15-7-14-28-22/h2-6,8-13,16,18H,7,14-15,17H2,1H3/t18-/m1/s1