1-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-tert-butyl-urea

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-tert-butyl-urea Openeye Name: 1-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-tert-butyl-urea CAS Name: 1-[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-tert-butylurea IUPAC Name: 1-[6-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-tert-butylurea Traditional Name: 1-tert-butyl-3-[6-(4-piperonyloyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N5O4/c1-23(2,3)26-22(30)25-17-6-8-20(24-14-17)27-9-4-10-28(12-11-27)21(29)16-5-7-18-19(13-16)32-15-31-18/h5-8,13-14H,4,9-12,15H2,1-3H3,(H2,25,26,30)