4-(3,4-dimethoxyphenyl)-2-[5-[[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-propyl]amino]pentyl]phthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[5-[[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-propyl]amino]pentyl]phthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[5-[[(3S)-3-(1-naphthyloxy)-3-(2-thienyl)propyl]amino]pentyl]phthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[5-[[(3S)-3-(1-naphthalenyloxy)-3-thiophen-2-ylpropyl]amino]pentyl]-1-phthalazinone IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[5-[[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]amino]pentyl]phthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[5-[[(3S)-3-(1-naphthoxy)-3-(2-thienyl)propyl]amino]pentyl]phthalazin-1-one Formula: C38H39N3O4S MolecularWeight: 633.79896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCCCCNCCC(C4=CC=CS4)OC5=CC=CC6=CC=CC=C65)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCCCCNCC[C@@H](C4=CC=CS4)OC5=CC=CC6=CC=CC=C65)OC

InChI

InChI=1S/C38H39N3O4S/c1-43-33-20-19-28(26-35(33)44-2)37-30-15-6-7-16-31(30)38(42)41(40-37)24-9-3-8-22-39-23-21-34(36-18-11-25-46-36)45-32-17-10-13-27-12-4-5-14-29(27)32/h4-7,10-20,25-26,34,39H,3,8-9,21-24H2,1-2H3/t34-/m0/s1