2-[2-butyl-4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)-2-(4-methoxyphenyl)piperazin-1-yl]ethanal

Systemtic Name: 2-[2-butyl-4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)-2-(4-methoxyphenyl)piperazin-1-yl]ethanal Openeye Name: 2-[2-butyl-4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)-2-(4-methoxyphenyl)piperazin-1-yl]acetaldehyde CAS Name: 2-[4-[2,5-bis(1-pyrrolidinyl)-4-pyrimidinyl]-2-butyl-2-(4-methoxyphenyl)-1-piperazinyl]acetaldehyde IUPAC Name: 2-[2-butyl-4-(2,5-dipyrrolidin-1-ylpyrimidin-4-yl)-2-(4-methoxyphenyl)piperazin-1-yl]acetaldehyde Traditional Name: 2-[2-butyl-4-(2,5-dipyrrolidinopyrimidin-4-yl)-2-(4-methoxyphenyl)piperazino]acetaldehyde Formula: C29H42N6O2 MolecularWeight: 506.68278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(CCN1CC=O)C2=NC(=NC=C2N3CCCC3)N4CCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCC1(CN(CCN1CC=O)C2=NC(=NC=C2N3CCCC3)N4CCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H42N6O2/c1-3-4-13-29(24-9-11-25(37-2)12-10-24)23-34(18-19-35(29)20-21-36)27-26(32-14-5-6-15-32)22-30-28(31-27)33-16-7-8-17-33/h9-12,21-22H,3-8,13-20,23H2,1-2H3