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

Systemtic Name: N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-phenylpropyl)-N-(3-quinolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3-phenylpropyl)-N-(3-quinolinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-phenylpropyl)-N-(3-quinolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=CC5=CC=CC=C5N=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=CC5=CC=CC=C5N=C4)OC1

InChI

InChI=1S/C29H28N2O3/c32-29(25-13-14-27-28(19-25)34-17-7-16-33-27)31(15-6-10-22-8-2-1-3-9-22)21-23-18-24-11-4-5-12-26(24)30-20-23/h1-5,8-9,11-14,18-20H,6-7,10,15-17,21H2