6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,5]benzoxazepin-5-one

Systemtic Name: 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,5]benzoxazepin-5-one Openeye Name: 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxo-butyl]pyrido[2,3-b][1,5]benzoxazepin-5-one CAS Name: 6-[4-(4-cyclohexyl-1-piperazinyl)-4-oxobutyl]-5-pyrido[2,3-b][1,5]benzoxazepinone IUPAC Name: 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,5]benzoxazepin-5-one Traditional Name: 6-[4-(4-cyclohexylpiperazino)-4-keto-butyl]pyrido[2,3-b][1,5]benzoxazepin-5-one Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC5=C(C3=O)C=CC=N5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC5=C(C3=O)C=CC=N5

InChI

InChI=1S/C26H32N4O3/c31-24(29-18-16-28(17-19-29)20-8-2-1-3-9-20)13-7-15-30-22-11-4-5-12-23(22)33-25-21(26(30)32)10-6-14-27-25/h4-6,10-12,14,20H,1-3,7-9,13,15-19H2