1-[5-(azepan-1-ylcarbonyl)-2-piperidin-1-yl-phenyl]-3-(3,4-dichlorophenyl)urea

Systemtic Name: 1-[5-(azepan-1-ylcarbonyl)-2-piperidin-1-yl-phenyl]-3-(3,4-dichlorophenyl)urea Openeye Name: 1-[5-(azepane-1-carbonyl)-2-(1-piperidyl)phenyl]-3-(3,4-dichlorophenyl)urea CAS Name: 1-[5-[1-azepanyl(oxo)methyl]-2-(1-piperidinyl)phenyl]-3-(3,4-dichlorophenyl)urea IUPAC Name: 1-[5-(azepane-1-carbonyl)-2-piperidin-1-ylphenyl]-3-(3,4-dichlorophenyl)urea Traditional Name: 1-[5-(azepane-1-carbonyl)-2-piperidino-phenyl]-3-(3,4-dichlorophenyl)urea Formula: C25H30Cl2N4O2 MolecularWeight: 489.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H30Cl2N4O2/c26-20-10-9-19(17-21(20)27)28-25(33)29-22-16-18(24(32)31-14-4-1-2-5-15-31)8-11-23(22)30-12-6-3-7-13-30/h8-11,16-17H,1-7,12-15H2,(H2,28,29,33)