1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[6-[(E)-benzyloxyiminomethyl]-4-[(3-chloro-4-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-[(E)-benzyloximinomethyl]-4-[(3-chloro-4-methyl-benzyl)amino]phthalazin-1-yl]piperidin-4-ol Formula: C29H30ClN5O2 MolecularWeight: 516.0338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C=NOCC4=CC=CC=C4)N5CCC(CC5)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)/C=N/OCC4=CC=CC=C4)N5CCC(CC5)O)Cl

InChI

InChI=1S/C29H30ClN5O2/c1-20-7-8-23(16-27(20)30)17-31-28-26-15-22(18-32-37-19-21-5-3-2-4-6-21)9-10-25(26)29(34-33-28)35-13-11-24(36)12-14-35/h2-10,15-16,18,24,36H,11-14,17,19H2,1H3,(H,31,33)/b32-18+