4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-N-(phenylmethyl)phthalazin-1-amine

Systemtic Name: 4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-N-(phenylmethyl)phthalazin-1-amine Openeye Name: N-benzyl-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-amine CAS Name: 4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-N-(phenylmethyl)-1-phthalazinamine IUPAC Name: N-benzyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: benzyl-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H26N4O3S/c1-19-11-12-21(17-24(19)34(31,32)30-13-15-33-16-14-30)25-22-9-5-6-10-23(22)26(29-28-25)27-18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,27,29)