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

Systemtic Name: 2-cycloheptyl-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-cycloheptyl-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-cycloheptyl-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-cycloheptyl-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-cycloheptyl-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C33H42N2O3 MolecularWeight: 514.69818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCCC5=CC=CC=C5

InChI

InChI=1S/C33H42N2O3/c1-37-30-22-21-26(24-31(30)38-23-13-5-8-16-25-14-6-4-7-15-25)32-28-19-11-12-20-29(28)33(36)35(34-32)27-17-9-2-3-10-18-27/h4,6-7,11-12,14-15,21-22,24,27-29H,2-3,5,8-10,13,16-20,23H2,1H3