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

Systemtic Name: 1-tert-butyl-3-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O/c1-21(2,3)25-20(28)24-18-5-6-19(23-15-18)27-12-4-11-26(13-14-27)16-17-7-9-22-10-8-17/h5-10,15H,4,11-14,16H2,1-3H3,(H2,24,25,28)