azocan-1-yl-[1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanone

Systemtic Name: azocan-1-yl-[1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanone Openeye Name: azocan-1-yl-[1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidin-2-yl]methanone CAS Name: 1-azocanyl-[1-[6-(3-bromoanilino)-4-pyrimidinyl]-2-pyrrolidinyl]methanone IUPAC Name: azocan-1-yl-[1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidin-2-yl]methanone Traditional Name: azocan-1-yl-[1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidin-2-yl]methanone Formula: C22H28BrN5O MolecularWeight: 458.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H28BrN5O/c23-17-8-6-9-18(14-17)26-20-15-21(25-16-24-20)28-13-7-10-19(28)22(29)27-11-4-2-1-3-5-12-27/h6,8-9,14-16,19H,1-5,7,10-13H2,(H,24,25,26)