1-[3-[4-(5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]indole-6-carbonitrile dihydrochloride

Systemtic Name: 1-[3-[4-(5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]indole-6-carbonitrile dihydrochloride Openeye Name: 1-[3-[4-(5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]indole-6-carbonitrile dihydrochloride CAS Name: 1-[3-[4-(5-methoxy-4-pyrimidinyl)-1,4-diazepan-1-yl]propyl]-6-indolecarbonitrile dihydrochloride IUPAC Name: 1-[3-[4-(5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]indole-6-carbonitrile dihydrochloride Traditional Name: 1-[3-[4-(5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]indole-6-carbonitrile dihydrochloride Formula: C22H28Cl2N6O MolecularWeight: 463.40332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1N2CCCN(CC2)CCCN3C=CC4=C3C=C(C=C4)C#N.Cl.Cl

Isomeric SMILES

COC1=CN=CN=C1N2CCCN(CC2)CCCN3C=CC4=C3C=C(C=C4)C#N.Cl.Cl

InChI

InChI=1S/C22H26N6O.2ClH/c1-29-21-16-24-17-25-22(21)28-10-3-8-26(12-13-28)7-2-9-27-11-6-19-5-4-18(15-23)14-20(19)27;;/h4-6,11,14,16-17H,2-3,7-10,12-13H2,1H3;2*1H