1-[6-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]-3-(3-fluoranyl-4-methyl-phenyl)urea

Systemtic Name: 1-[6-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]-3-(3-fluoranyl-4-methyl-phenyl)urea Openeye Name: 1-[6-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-[6-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(3-fluoro-4-methylphenyl)urea IUPAC Name: 1-[6-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-[6-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-(3-fluoro-4-methyl-phenyl)urea Formula: C24H30FN5O2 MolecularWeight: 439.525703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4CCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4CCCC4)F

InChI

InChI=1S/C24H30FN5O2/c1-17-7-8-19(15-21(17)25)27-24(32)28-20-9-10-22(26-16-20)29-11-4-12-30(14-13-29)23(31)18-5-2-3-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H2,27,28,32)