3-[6-(4-cyclobutylcarbonylpiperazin-1-yl)hexyl]-4-methyl-1-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)pyrrole-2,5-dione

Systemtic Name: 3-[6-(4-cyclobutylcarbonylpiperazin-1-yl)hexyl]-4-methyl-1-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)pyrrole-2,5-dione Openeye Name: 3-[6-[4-(cyclobutanecarbonyl)piperazin-1-yl]hexyl]-4-methyl-1-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pyrrole-2,5-dione CAS Name: 3-[6-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]hexyl]-4-methyl-1-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-[4-(cyclobutanecarbonyl)piperazin-1-yl]hexyl]-4-methyl-1-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pyrrole-2,5-dione Traditional Name: 3-[6-[4-(cyclobutanecarbonyl)piperazino]hexyl]-1-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-4-methyl-3-pyrroline-2,5-quinone Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)ON=C3C)CCCCCCN4CCN(CC4)C(=O)C5CCC5

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)ON=C3C)CCCCCCN4CCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C29H36N4O5/c1-19-23(10-5-3-4-6-13-31-14-16-32(17-15-31)27(35)21-8-7-9-21)28(36)33(26(19)34)22-11-12-24-25(18-22)20(2)30-38-29(24)37/h11-12,18,21H,3-10,13-17H2,1-2H3