6-(4-methoxy-2-methyl-phenyl)-2-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-3-yl]phthalazin-1-one

Systemtic Name: 6-(4-methoxy-2-methyl-phenyl)-2-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-3-yl]phthalazin-1-one Openeye Name: 6-(4-methoxy-2-methyl-phenyl)-2-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridyl]phthalazin-1-one CAS Name: 6-(4-methoxy-2-methylphenyl)-2-[6-[(3S)-3-(methylamino)-1-pyrrolidinyl]-3-pyridinyl]-1-phthalazinone IUPAC Name: 6-(4-methoxy-2-methylphenyl)-2-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-3-yl]phthalazin-1-one Traditional Name: 6-(4-methoxy-2-methyl-phenyl)-2-[6-[(3S)-3-(methylamino)pyrrolidino]-3-pyridyl]phthalazin-1-one Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C2=CC3=C(C=C2)C(=O)N(N=C3)C4=CN=C(C=C4)N5CCC(C5)NC

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C2=CC3=C(C=C2)C(=O)N(N=C3)C4=CN=C(C=C4)N5CC[C@@H](C5)NC

InChI

InChI=1S/C26H27N5O2/c1-17-12-22(33-3)6-8-23(17)18-4-7-24-19(13-18)14-29-31(26(24)32)21-5-9-25(28-15-21)30-11-10-20(16-30)27-2/h4-9,12-15,20,27H,10-11,16H2,1-3H3/t20-/m0/s1