propyl 4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: propyl 4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzoic acid propyl ester Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C30H30N4O3/c1-2-20-37-30(36)23-12-10-21(11-13-23)27-25-8-4-5-9-26(25)28(33-32-27)31-24-16-14-22(15-17-24)29(35)34-18-6-3-7-19-34/h4-5,8-17H,2-3,6-7,18-20H2,1H3,(H,31,33)