azepan-1-yl-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: 1-azepanyl-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: azepan-1-yl-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H28N6O/c31-23(29-12-5-1-2-6-13-29)21-18-27-22(20-9-4-3-8-19(20)21)28-14-16-30(17-15-28)24-25-10-7-11-26-24/h3-4,7-11,18H,1-2,5-6,12-17H2