N-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=NNC4=NN=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C=N/NC4=NN=CC5=CC=CC=C54

InChI

InChI=1S/C25H26N6O3S/c1-18-14-21(17-27-29-25-24-9-4-3-6-20(24)16-26-28-25)19(2)31(18)22-7-5-8-23(15-22)35(32,33)30-10-12-34-13-11-30/h3-9,14-17H,10-13H2,1-2H3,(H,28,29)/b27-17+