4-[3-(butan-2-ylamino)pyridin-2-yl]-1-indol-1-yl-piperazine-2-carbaldehyde

Systemtic Name: 4-[3-(butan-2-ylamino)pyridin-2-yl]-1-indol-1-yl-piperazine-2-carbaldehyde Openeye Name: 1-indol-1-yl-4-[3-(sec-butylamino)-2-pyridyl]piperazine-2-carbaldehyde CAS Name: 4-[3-(butan-2-ylamino)-2-pyridinyl]-1-(1-indolyl)-2-piperazinecarboxaldehyde IUPAC Name: 4-[3-(butan-2-ylamino)pyridin-2-yl]-1-indol-1-ylpiperazine-2-carbaldehyde Traditional Name: 1-indol-1-yl-4-[3-(sec-butylamino)-2-pyridyl]piperazine-2-carbaldehyde Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5O/c1-3-17(2)24-20-8-6-11-23-22(20)25-13-14-26(19(15-25)16-28)27-12-10-18-7-4-5-9-21(18)27/h4-12,16-17,19,24H,3,13-15H2,1-2H3