1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butane-1,4-dione Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)C(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O2/c28-20(19-3-2-17-6-10-23-11-7-18(17)16-19)4-5-21(29)26-12-14-27(15-13-26)22-24-8-1-9-25-22/h1-3,8-9,16,23H,4-7,10-15H2