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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-[(2-methoxyphenyl)methyl]-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-[(2-methoxyphenyl)methyl]-2-[1-[4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: o-anisyl-[2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C31H33N7O3S MolecularWeight: 583.70382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3OC)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=C3OC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C31H33N7O3S/c1-23(30-34-28-10-5-4-9-27(28)31(35-30)32-22-24-8-3-6-11-29(24)41-2)36-18-20-37(21-19-36)42(39,40)26-14-12-25(13-15-26)38-17-7-16-33-38/h3-17,23H,18-22H2,1-2H3,(H,32,34,35)