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

Systemtic Name: 1-[6-[4-(2-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenyl-urea Openeye Name: 1-[6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea CAS Name: 1-[6-[4-[(2-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea IUPAC Name: 1-[6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-phenylurea Traditional Name: 1-[6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-phenyl-urea Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2Cl)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2Cl)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN5O2/c25-21-10-5-4-9-20(21)23(31)30-14-6-13-29(15-16-30)22-12-11-19(17-26-22)28-24(32)27-18-7-2-1-3-8-18/h1-5,7-12,17H,6,13-16H2,(H2,27,28,32)