4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(4-ethoxybenzyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-2-36-24-14-12-23(13-15-24)20-31-16-18-32(19-17-31)29(35)27-25-10-6-7-11-26(25)28(34)33(30-27)21-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3