1-[6-[4-(furan-2-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[6-[4-(furan-2-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-(o-tolyl)urea CAS Name: 1-[6-[4-[2-furanyl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[6-[4-(2-furoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-(o-tolyl)urea Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H25N5O3/c1-17-6-2-3-7-19(17)26-23(30)25-18-9-10-21(24-16-18)27-11-5-12-28(14-13-27)22(29)20-8-4-15-31-20/h2-4,6-10,15-16H,5,11-14H2,1H3,(H2,25,26,30)