N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C27H26N6O3S MolecularWeight: 514.59874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C27H26N6O3S/c1-18-10-11-19(16-24(18)37(34,35)33-12-14-36-15-13-33)26-20-6-2-3-7-21(20)27(32-31-26)28-17-25-29-22-8-4-5-9-23(22)30-25/h2-11,16H,12-15,17H2,1H3,(H,28,32)(H,29,30)