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

Systemtic Name: N-cyclopropyl-N-(quinolin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-cyclopropyl-N-(3-quinolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-cyclopropyl-N-(3-quinolinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-cyclopropyl-N-(quinolin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-cyclopropyl-N-(3-quinolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC4=CC=CC=C4N=C3)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC4=CC=CC=C4N=C3)C5CC5)OC1

InChI

InChI=1S/C23H22N2O3/c26-23(18-6-9-21-22(13-18)28-11-3-10-27-21)25(19-7-8-19)15-16-12-17-4-1-2-5-20(17)24-14-16/h1-2,4-6,9,12-14,19H,3,7-8,10-11,15H2