3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]propan-1-one Formula: C27H41N5O MolecularWeight: 451.64734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CCCC(C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H41N5O/c1-3-13-32-22-26(23(2)28-32)21-30-14-7-10-25(20-30)11-12-27(33)31-17-15-29(16-18-31)19-24-8-5-4-6-9-24/h4-6,8-9,22,25H,3,7,10-21H2,1-2H3