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

Systemtic Name: 1-tert-butyl-3-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(3-furylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-(3-furanylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(3-furfuryl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=COC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=COC=C3

InChI

InChI=1S/C20H29N5O2/c1-20(2,3)23-19(26)22-17-5-6-18(21-13-17)25-9-4-8-24(10-11-25)14-16-7-12-27-15-16/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H2,22,23,26)