4-chloranyl-6-[4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazin-1-yl]-2H-phthalazin-1-one

Systemtic Name: 4-chloranyl-6-[4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazin-1-yl]-2H-phthalazin-1-one Openeye Name: 4-chloro-6-[4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazin-1-yl]-2H-phthalazin-1-one CAS Name: 4-chloro-6-[4-[5-(ethoxymethyl)-2-methyl-3-[2-(1-pyrrolidinyl)ethylamino]phenyl]-1-piperazinyl]-2H-phthalazin-1-one IUPAC Name: 4-chloro-6-[4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazin-1-yl]-2H-phthalazin-1-one Traditional Name: 4-chloro-6-[4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidinoethylamino)phenyl]piperazino]-2H-phthalazin-1-one Formula: C28H37ClN6O2 MolecularWeight: 525.08538

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC(=C(C(=C1)NCCN2CCCC2)C)N3CCN(CC3)C4=CC5=C(C=C4)C(=O)NN=C5Cl

Isomeric SMILES

CCOCC1=CC(=C(C(=C1)NCCN2CCCC2)C)N3CCN(CC3)C4=CC5=C(C=C4)C(=O)NN=C5Cl

InChI

InChI=1S/C28H37ClN6O2/c1-3-37-19-21-16-25(30-8-11-33-9-4-5-10-33)20(2)26(17-21)35-14-12-34(13-15-35)22-6-7-23-24(18-22)27(29)31-32-28(23)36/h6-7,16-18,30H,3-5,8-15,19H2,1-2H3,(H,32,36)