3-heptyl-1-methyl-1-[3-[4-[(2-pyrazol-1-ylcarbonylphenyl)amino]phenyl]phenyl]urea

Systemtic Name: 3-heptyl-1-methyl-1-[3-[4-[(2-pyrazol-1-ylcarbonylphenyl)amino]phenyl]phenyl]urea Openeye Name: 3-heptyl-1-methyl-1-[3-[4-[2-(pyrazole-1-carbonyl)anilino]phenyl]phenyl]urea CAS Name: 3-heptyl-1-methyl-1-[3-[4-[2-[oxo(1-pyrazolyl)methyl]anilino]phenyl]phenyl]urea IUPAC Name: 3-heptyl-1-methyl-1-[3-[4-[2-(pyrazole-1-carbonyl)anilino]phenyl]phenyl]urea Traditional Name: 3-heptyl-1-methyl-1-[3-[4-[2-(pyrazole-1-carbonyl)anilino]phenyl]phenyl]urea Formula: C31H35N5O2 MolecularWeight: 509.6419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)N4C=CC=N4

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)N4C=CC=N4

InChI

InChI=1S/C31H35N5O2/c1-3-4-5-6-9-20-32-31(38)35(2)27-13-10-12-25(23-27)24-16-18-26(19-17-24)34-29-15-8-7-14-28(29)30(37)36-22-11-21-33-36/h7-8,10-19,21-23,34H,3-6,9,20H2,1-2H3,(H,32,38)