2-cycloheptyl-4-[4-methoxy-3-(4-purin-7-ylbutoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-cycloheptyl-4-[4-methoxy-3-(4-purin-7-ylbutoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-cycloheptyl-4-[4-methoxy-3-(4-purin-7-ylbutoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-cycloheptyl-4-[4-methoxy-3-[4-(7-purinyl)butoxy]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-cycloheptyl-4-[4-methoxy-3-(4-purin-7-ylbutoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-cycloheptyl-4-[4-methoxy-3-(4-purin-7-ylbutoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C31H38N6O3 MolecularWeight: 542.67182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCN5C=NC6=NC=NC=C65

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCN5C=NC6=NC=NC=C65

InChI

InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3