6-(4-chlorophenyl)-2-[6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridin-3-yl]phthalazin-1-one

Systemtic Name: 6-(4-chlorophenyl)-2-[6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridin-3-yl]phthalazin-1-one Openeye Name: 6-(4-chlorophenyl)-2-[6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-3-pyridyl]phthalazin-1-one CAS Name: 6-(4-chlorophenyl)-2-[6-[(3S)-3-(1-pyrrolidinyl)-1-pyrrolidinyl]-3-pyridinyl]-1-phthalazinone IUPAC Name: 6-(4-chlorophenyl)-2-[6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridin-3-yl]phthalazin-1-one Traditional Name: 6-(4-chlorophenyl)-2-[6-[(3S)-3-pyrrolidinopyrrolidino]-3-pyridyl]phthalazin-1-one Formula: C27H26ClN5O MolecularWeight: 471.98124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(C2)C3=NC=C(C=C3)N4C(=O)C5=C(C=C(C=C5)C6=CC=C(C=C6)Cl)C=N4

Isomeric SMILES

C1CCN(C1)[C@H]2CCN(C2)C3=NC=C(C=C3)N4C(=O)C5=C(C=C(C=C5)C6=CC=C(C=C6)Cl)C=N4

InChI

InChI=1S/C27H26ClN5O/c28-22-6-3-19(4-7-22)20-5-9-25-21(15-20)16-30-33(27(25)34)23-8-10-26(29-17-23)32-14-11-24(18-32)31-12-1-2-13-31/h3-10,15-17,24H,1-2,11-14,18H2/t24-/m0/s1