1-tert-butyl-3-[6-[4-(2-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(2-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(2-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C22H28ClN5O2 MolecularWeight: 429.94302

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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=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN5O2/c1-22(2,3)26-21(30)25-16-9-10-19(24-15-16)27-11-6-12-28(14-13-27)20(29)17-7-4-5-8-18(17)23/h4-5,7-10,15H,6,11-14H2,1-3H3,(H2,25,26,30)