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

Systemtic Name: N-(2-methylpropyl)-N-(quinolin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-isobutyl-N-(3-quinolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(2-methylpropyl)-N-(3-quinolinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-methylpropyl)-N-(quinolin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-isobutyl-N-(3-quinolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC2=CC=CC=C2N=C1)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)CN(CC1=CC2=CC=CC=C2N=C1)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H26N2O3/c1-17(2)15-26(16-18-12-19-6-3-4-7-21(19)25-14-18)24(27)20-8-9-22-23(13-20)29-11-5-10-28-22/h3-4,6-9,12-14,17H,5,10-11,15-16H2,1-2H3