N-(2-bromophenyl)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-bromophenyl)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C18H23BrClN5O MolecularWeight: 440.76512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3Br)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3Br)Cl)C

InChI

InChI=1S/C18H23BrClN5O/c1-13-14(17(20)23(2)22-13)12-24-8-5-9-25(11-10-24)18(26)21-16-7-4-3-6-15(16)19/h3-4,6-7H,5,8-12H2,1-2H3,(H,21,26)