[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(7-phenyl-3-pyrazolo[1,5-a]pyrimidinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone Formula: C23H28N6O3S MolecularWeight: 468.57182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

InChI

InChI=1S/C23H28N6O3S/c30-23(20-18-25-29-21(10-11-24-22(20)29)19-8-4-3-5-9-19)26-14-16-28(17-15-26)33(31,32)27-12-6-1-2-7-13-27/h3-5,8-11,18H,1-2,6-7,12-17H2