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

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-pentyl-2-quinolin-7-yl-benzamide Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-pentyl-2-(7-quinolyl)benzamide CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-4-pentyl-2-(7-quinolinyl)benzamide IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-pentyl-2-quinolin-7-ylbenzamide Traditional Name: 4-amyl-3-[(4-methylpiperazino)methyl]-2-(7-quinolyl)benzamide Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)N)C2=CC3=C(C=CC=N3)C=C2)CN4CCN(CC4)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)N)C2=CC3=C(C=CC=N3)C=C2)CN4CCN(CC4)C

InChI

InChI=1S/C27H34N4O/c1-3-4-5-7-20-11-12-23(27(28)32)26(24(20)19-31-16-14-30(2)15-17-31)22-10-9-21-8-6-13-29-25(21)18-22/h6,8-13,18H,3-5,7,14-17,19H2,1-2H3,(H2,28,32)