N-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]-N-[[3-(4-methylpiperazin-1-yl)oxepan-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]-N-[[3-(4-methylpiperazin-1-yl)oxepan-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[(1-methyl-2-oxo-3-quinolyl)methyl]-N-[[3-(4-methylpiperazin-1-yl)oxepan-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[(1-methyl-2-oxo-3-quinolinyl)methyl]-N-[[3-(4-methyl-1-piperazinyl)-3-oxepanyl]methyl]cyclohexanecarboxamide IUPAC Name: N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[3-(4-methylpiperazin-1-yl)oxepan-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[(2-keto-1-methyl-3-quinolyl)methyl]-N-[[3-(4-methylpiperazino)oxepan-3-yl]methyl]cyclohexanecarboxamide Formula: C30H44N4O3 MolecularWeight: 508.69536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2(CCCCOC2)CN(CC3=CC4=CC=CC=C4N(C3=O)C)C(=O)C5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C2(CCCCOC2)CN(CC3=CC4=CC=CC=C4N(C3=O)C)C(=O)C5CCCCC5

InChI

InChI=1S/C30H44N4O3/c1-31-15-17-34(18-16-31)30(14-8-9-19-37-23-30)22-33(29(36)24-10-4-3-5-11-24)21-26-20-25-12-6-7-13-27(25)32(2)28(26)35/h6-7,12-13,20,24H,3-5,8-11,14-19,21-23H2,1-2H3