2-pyrimido[4,5-b]indol-9-yl-2-pyrrolidin-1-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-pyrimido[4,5-b]indol-9-yl-2-pyrrolidin-1-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-pyrimido[4,5-b]indol-9-yl-2-pyrrolidin-1-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone CAS Name: 2-(9-pyrimido[4,5-b]indolyl)-2-(1-pyrrolidinyl)-1-[3-(1-pyrrolidinyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-pyrimido[4,5-b]indol-9-yl-2-pyrrolidin-1-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-pyrimid[4,5-b]indol-9-yl-2-pyrrolidino-1-(3-pyrrolidinopyrrolidino)ethanone Formula: C24H30N6O MolecularWeight: 418.5346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(C2)C(=O)C(N3CCCC3)N4C5=CC=CC=C5C6=CN=CN=C64

Isomeric SMILES

C1CCN(C1)C2CCN(C2)C(=O)C(N3CCCC3)N4C5=CC=CC=C5C6=CN=CN=C64

InChI

InChI=1S/C24H30N6O/c31-24(29-14-9-18(16-29)27-10-3-4-11-27)23(28-12-5-6-13-28)30-21-8-2-1-7-19(21)20-15-25-17-26-22(20)30/h1-2,7-8,15,17-18,23H,3-6,9-14,16H2