1-[[3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-4-propan-2-yl-phenyl]-pyridin-3-yl-methyl]urea

Systemtic Name: 1-[[3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-4-propan-2-yl-phenyl]-pyridin-3-yl-methyl]urea Openeye Name: [[3-(3-amino-5-chloro-2,6-diethyl-phenyl)-4-isopropyl-phenyl]-(3-pyridyl)methyl]urea CAS Name: [[3-(3-amino-5-chloro-2,6-diethylphenyl)-4-propan-2-ylphenyl]-(3-pyridinyl)methyl]urea IUPAC Name: [[3-(3-amino-5-chloro-2,6-diethylphenyl)-4-propan-2-ylphenyl]-pyridin-3-ylmethyl]urea Traditional Name: [[3-(3-amino-5-chloro-2,6-diethyl-phenyl)-4-isopropyl-phenyl]-(3-pyridyl)methyl]urea Formula: C26H31ClN4O MolecularWeight: 451.00354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1N)Cl)CC)C2=C(C=CC(=C2)C(C3=CN=CC=C3)NC(=O)N)C(C)C

Isomeric SMILES

CCC1=C(C(=C(C=C1N)Cl)CC)C2=C(C=CC(=C2)C(C3=CN=CC=C3)NC(=O)N)C(C)C

InChI

InChI=1S/C26H31ClN4O/c1-5-18-22(27)13-23(28)19(6-2)24(18)21-12-16(9-10-20(21)15(3)4)25(31-26(29)32)17-8-7-11-30-14-17/h7-15,25H,5-6,28H2,1-4H3,(H3,29,31,32)