2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-3H-2-benzazepin-1-one

Systemtic Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-3H-2-benzazepin-1-one CAS Name: 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazino]propyl]-4,5-dihydro-3H-2-benzazepin-1-one Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)N(C1)CCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)N(C1)CCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O/c27-20-19-8-2-1-6-18(19)7-3-12-25(20)13-5-11-24-14-16-26(17-15-24)21-22-9-4-10-23-21/h1-2,4,6,8-10H,3,5,7,11-17H2