N-(phenylmethyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-(phenylmethyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-benzyl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-(phenylmethyl)-2-[1-[4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-benzyl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: benzyl-[2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C30H31N7O2S MolecularWeight: 553.67784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C30H31N7O2S/c1-23(29-33-28-11-6-5-10-27(28)30(34-29)31-22-24-8-3-2-4-9-24)35-18-20-36(21-19-35)40(38,39)26-14-12-25(13-15-26)37-17-7-16-32-37/h2-17,23H,18-22H2,1H3,(H,31,33,34)