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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Formula: C24H28ClN5O MolecularWeight: 437.96502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C24H28ClN5O/c1-18-21(23(25)28(2)27-18)17-29-13-8-14-30(16-15-29)24(31)26-22-12-7-6-11-20(22)19-9-4-3-5-10-19/h3-7,9-12H,8,13-17H2,1-2H3,(H,26,31)