1H-indol-2-yl-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone; methanesulfonic acid

Systemtic Name: 1H-indol-2-yl-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone; methanesulfonic acid Openeye Name: 1H-indol-2-yl-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone; methanesulfonic acid CAS Name: 1H-indol-2-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methanone; methanesulfonic acid IUPAC Name: 1H-indol-2-yl-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone; methanesulfonic acid Traditional Name: 1H-indol-2-yl-[4-[3-(isopropylamino)-2-pyridyl]piperazino]methanone; mesylic acid Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3.CS(=O)(=O)O

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3.CS(=O)(=O)O

InChI

InChI=1S/C21H25N5O.CH4O3S/c1-15(2)23-18-8-5-9-22-20(18)25-10-12-26(13-11-25)21(27)19-14-16-6-3-4-7-17(16)24-19;1-5(2,3)4/h3-9,14-15,23-24H,10-13H2,1-2H3;1H3,(H,2,3,4)