3-[(4-methylpiperazin-1-yl)methyl]-4-(2-oxidanylidenepentyl)-2-quinolin-7-yl-benzamide

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-(2-oxidanylidenepentyl)-2-quinolin-7-yl-benzamide Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-(2-oxopentyl)-2-(7-quinolyl)benzamide CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-4-(2-oxopentyl)-2-(7-quinolinyl)benzamide IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-(2-oxopentyl)-2-quinolin-7-ylbenzamide Traditional Name: 4-(2-ketopentyl)-3-[(4-methylpiperazino)methyl]-2-(7-quinolyl)benzamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC1=C(C(=C(C=C1)C(=O)N)C2=CC3=C(C=CC=N3)C=C2)CN4CCN(CC4)C

Isomeric SMILES

CCCC(=O)CC1=C(C(=C(C=C1)C(=O)N)C2=CC3=C(C=CC=N3)C=C2)CN4CCN(CC4)C

InChI

InChI=1S/C27H32N4O2/c1-3-5-22(32)16-20-9-10-23(27(28)33)26(24(20)18-31-14-12-30(2)13-15-31)21-8-7-19-6-4-11-29-25(19)17-21/h4,6-11,17H,3,5,12-16,18H2,1-2H3,(H2,28,33)