4-(5-fluoranylindol-1-yl)-2-(propan-2-ylamino)-1-pyridin-2-yl-5H-1,4-diazepine-3-carbaldehyde

Systemtic Name: 4-(5-fluoranylindol-1-yl)-2-(propan-2-ylamino)-1-pyridin-2-yl-5H-1,4-diazepine-3-carbaldehyde Openeye Name: 4-(5-fluoroindol-1-yl)-2-(isopropylamino)-1-(2-pyridyl)-5H-1,4-diazepine-3-carbaldehyde CAS Name: 4-(5-fluoro-1-indolyl)-2-(propan-2-ylamino)-1-(2-pyridinyl)-5H-1,4-diazepine-3-carboxaldehyde IUPAC Name: 4-(5-fluoroindol-1-yl)-2-(propan-2-ylamino)-1-pyridin-2-yl-5H-1,4-diazepine-3-carbaldehyde Traditional Name: 4-(5-fluoroindol-1-yl)-2-(isopropylamino)-1-(2-pyridyl)-5H-1,4-diazepine-3-carbaldehyde Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N(CC=CN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)F)C=O

Isomeric SMILES

CC(C)NC1=C(N(CC=CN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)F)C=O

InChI

InChI=1S/C22H22FN5O/c1-16(2)25-22-20(15-29)27(12-5-11-26(22)21-6-3-4-10-24-21)28-13-9-17-14-18(23)7-8-19(17)28/h3-11,13-16,25H,12H2,1-2H3