5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-(phenylmethyl)-1-propyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-(phenylmethyl)-1-propyl-pyrazole-4-carbonitrile Openeye Name: 3-benzyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-pyrazole-4-carbonitrile CAS Name: 5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-(phenylmethyl)-1-propyl-4-pyrazolecarbonitrile IUPAC Name: 3-benzyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-propylpyrazole-4-carbonitrile Traditional Name: 3-benzyl-5-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-1-propyl-pyrazole-4-carbonitrile Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=CC=C2)C#N)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=CC=C2)C#N)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

InChI

InChI=1S/C28H35N5O3S/c1-4-13-33-28(25(21-29)26(30-33)19-22-9-7-6-8-10-22)24-20-23(11-12-27(24)36-18-5-2)37(34,35)32-16-14-31(3)15-17-32/h6-12,20H,4-5,13-19H2,1-3H3