N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(o-tolyl)-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(2-methylphenyl)-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(o-tolyl)-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC2=CN=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1N(CC2=CN=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H22N2O3/c1-17-6-2-3-8-20(17)25(16-18-7-4-11-24-15-18)23(26)19-9-10-21-22(14-19)28-13-5-12-27-21/h2-4,6-11,14-15H,5,12-13,16H2,1H3