[2-[[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[3-chloro-4-[1,4-diazepan-1-yl(oxo)methyl]anilino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]carbamoyl]phenyl] ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCNCC3)Cl

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCNCC3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-14(26)29-19-6-3-2-5-17(19)20(27)24-15-7-8-16(18(22)13-15)21(28)25-11-4-9-23-10-12-25/h2-3,5-8,13,23H,4,9-12H2,1H3,(H,24,27)