(7-chloranyl-9-methyl-2-pyridin-4-yl-pyrimido[4,5-b]indol-4-yl)-pyrrolidin-1-yl-methanone

Systemtic Name: (7-chloranyl-9-methyl-2-pyridin-4-yl-pyrimido[4,5-b]indol-4-yl)-pyrrolidin-1-yl-methanone Openeye Name: [7-chloro-9-methyl-2-(4-pyridyl)pyrimido[4,5-b]indol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: (7-chloro-9-methyl-2-pyridin-4-yl-4-pyrimido[4,5-b]indolyl)-(1-pyrrolidinyl)methanone IUPAC Name: (7-chloro-9-methyl-2-pyridin-4-ylpyrimido[4,5-b]indol-4-yl)-pyrrolidin-1-ylmethanone Traditional Name: [7-chloro-9-methyl-2-(4-pyridyl)pyrimid[4,5-b]indol-4-yl]-pyrrolidino-methanone Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C3=C(N=C(N=C31)C4=CC=NC=C4)C(=O)N5CCCC5

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C3=C(N=C(N=C31)C4=CC=NC=C4)C(=O)N5CCCC5

InChI

InChI=1S/C21H18ClN5O/c1-26-16-12-14(22)4-5-15(16)17-18(21(28)27-10-2-3-11-27)24-19(25-20(17)26)13-6-8-23-9-7-13/h4-9,12H,2-3,10-11H2,1H3