1-[6-[4-(2,4-dichlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[6-[4-(2,4-dichlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea Openeye Name: 1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-isopropyl-urea CAS Name: 1-[6-[4-[(2,4-dichlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-ylurea IUPAC Name: 1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-ylurea Traditional Name: 1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-isopropyl-urea Formula: C21H25Cl2N5O2 MolecularWeight: 450.3615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Cl2N5O2/c1-14(2)25-21(30)26-16-5-7-19(24-13-16)27-8-3-9-28(11-10-27)20(29)17-6-4-15(22)12-18(17)23/h4-7,12-14H,3,8-11H2,1-2H3,(H2,25,26,30)