(2-cyclopropylquinolin-4-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6CC6)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6CC6)OC1

InChI

InChI=1S/C26H27N3O5S/c30-26(21-17-23(18-6-7-18)27-22-5-2-1-4-20(21)22)28-10-12-29(13-11-28)35(31,32)19-8-9-24-25(16-19)34-15-3-14-33-24/h1-2,4-5,8-9,16-18H,3,6-7,10-15H2