3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-[(4-pyrazol-1-ylphenyl)methyl]urea

Systemtic Name: 3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-[(4-pyrazol-1-ylphenyl)methyl]urea Openeye Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-[(4-pyrazol-1-ylphenyl)methyl]urea CAS Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(4-ethylphenyl)-1-[[4-(1-pyrazolyl)phenyl]methyl]urea IUPAC Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(4-ethylphenyl)-1-[(4-pyrazol-1-ylphenyl)methyl]urea Traditional Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-ethylphenyl)-1-(4-pyrazol-1-ylbenzyl)urea Formula: C29H32ClN5O MolecularWeight: 502.05028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)N3C=CC=N3)C(=O)NC4=C(C(=CC(=C4CC)Cl)N)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)N3C=CC=N3)C(=O)NC4=C(C(=CC(=C4CC)Cl)N)CC

InChI

InChI=1S/C29H32ClN5O/c1-4-20-8-12-22(13-9-20)34(19-21-10-14-23(15-11-21)35-17-7-16-32-35)29(36)33-28-24(5-2)26(30)18-27(31)25(28)6-3/h7-18H,4-6,19,31H2,1-3H3,(H,33,36)