N-(4-methylpiperazin-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide

Systemtic Name: N-(4-methylpiperazin-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide Openeye Name: N-(4-methylpiperazin-1-yl)-4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanamide CAS Name: N-(4-methyl-1-piperazinyl)-4-[5-methyl-2-(2-quinolinyl)-1H-indol-3-yl]butanamide IUPAC Name: N-(4-methylpiperazin-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide Traditional Name: N-(4-methylpiperazino)-4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butyramide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NN3CCN(CC3)C)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NN3CCN(CC3)C)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H31N5O/c1-19-10-12-24-22(18-19)21(7-5-9-26(33)30-32-16-14-31(2)15-17-32)27(29-24)25-13-11-20-6-3-4-8-23(20)28-25/h3-4,6,8,10-13,18,29H,5,7,9,14-17H2,1-2H3,(H,30,33)