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

Systemtic Name: (7-chloranyl-9-methyl-2-phenyl-pyrimido[4,5-b]indol-4-yl)-pyrrolidin-1-yl-methanone Openeye Name: (7-chloro-9-methyl-2-phenyl-pyrimido[4,5-b]indol-4-yl)-pyrrolidin-1-yl-methanone CAS Name: (7-chloro-9-methyl-2-phenyl-4-pyrimido[4,5-b]indolyl)-(1-pyrrolidinyl)methanone IUPAC Name: (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl)-pyrrolidin-1-ylmethanone Traditional Name: (7-chloro-9-methyl-2-phenyl-pyrimid[4,5-b]indol-4-yl)-pyrrolidino-methanone Formula: C22H19ClN4O MolecularWeight: 390.86546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O/c1-26-17-13-15(23)9-10-16(17)18-19(22(28)27-11-5-6-12-27)24-20(25-21(18)26)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3