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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[6-[(E)-benzyloxyiminomethyl]-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-[(E)-phenylmethoxyiminomethyl]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-[(E)-benzyloximinomethyl]-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-4-ol Formula: C29H30ClN5O3 MolecularWeight: 532.0332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C=NOCC4=CC=CC=C4)N5CCC(CC5)O)Cl

Isomeric SMILES

COC1=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/C29H30ClN5O3/c1-37-27-10-8-22(16-26(27)30)17-31-28-25-15-21(18-32-38-19-20-5-3-2-4-6-20)7-9-24(25)29(34-33-28)35-13-11-23(36)12-14-35/h2-10,15-16,18,23,36H,11-14,17,19H2,1H3,(H,31,33)/b32-18+