4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]-1-(4-phenylpiperazino)butan-1-one Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H30N4O/c1-21-13-14-25-24(20-21)23(28(30-25)26-11-5-6-15-29-26)10-7-12-27(33)32-18-16-31(17-19-32)22-8-3-2-4-9-22/h2-6,8-9,11,13-15,20,30H,7,10,12,16-19H2,1H3