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

Systemtic Name: 1-tert-butyl-3-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O/c1-21(2,3)25-20(28)24-18-7-8-19(23-15-18)27-11-5-10-26(12-13-27)16-17-6-4-9-22-14-17/h4,6-9,14-15H,5,10-13,16H2,1-3H3,(H2,24,25,28)