6-[[(phenylmethyl)amino]methyl]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-2-carboxamide

Systemtic Name: 6-[[(phenylmethyl)amino]methyl]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-2-carboxamide Openeye Name: 6-[(benzylamino)methyl]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-2-carboxamide CAS Name: 6-[[(phenylmethyl)amino]methyl]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepin-2-carboxamide IUPAC Name: 6-[(benzylamino)methyl]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-2-carboxamide Traditional Name: 6-[(benzylamino)methyl]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepin-2-carboxamide Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2C(C=CC=C2OC1C(=O)N)CNCC3=CC=CC=C3

Isomeric SMILES

C1COC2C(C=CC=C2OC1C(=O)N)CNCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3/c19-18(21)16-9-10-22-17-14(7-4-8-15(17)23-16)12-20-11-13-5-2-1-3-6-13/h1-8,14,16-17,20H,9-12H2,(H2,19,21)