N-[(1-methylimidazol-2-yl)methyl]-N-phenethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-N-phenethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)methyl]-N-phenethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-N-phenethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-phenethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1-methylimidazol-2-yl)methyl]-N-phenethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H25N3O3/c1-25-13-11-24-22(25)17-26(12-10-18-6-3-2-4-7-18)23(27)19-8-9-20-21(16-19)29-15-5-14-28-20/h2-4,6-9,11,13,16H,5,10,12,14-15,17H2,1H3