methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-yl-carbamate hydrobromide

Systemtic Name: methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-yl-carbamate hydrobromide Openeye Name: methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(3-pyridyl)carbamate hydrobromide CAS Name: N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]-N-(3-pyridinyl)carbamic acid methyl ester hydrobromide IUPAC Name: methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate hydrobromide Traditional Name: N-[4-[(2-aminophenyl)carbamoyl]benzyl]-N-(3-pyridyl)carbamic acid methyl ester hydrobromide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N)C3=CN=CC=C3.Br

Isomeric SMILES

COC(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N)C3=CN=CC=C3.Br

InChI

InChI=1S/C21H20N4O3.BrH/c1-28-21(27)25(17-5-4-12-23-13-17)14-15-8-10-16(11-9-15)20(26)24-19-7-3-2-6-18(19)22;/h2-13H,14,22H2,1H3,(H,24,26);1H