1-tert-butyl-3-[6-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C19H29N5O2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C19H29N5O2/c1-19(2,3)22-18(26)21-15-7-8-16(20-13-15)23-9-4-10-24(12-11-23)17(25)14-5-6-14/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,26)