4-[(4-tert-butylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-tert-butylbenzyl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-23(2,3)20-12-10-19(11-13-20)18-25-14-7-15-26(17-16-25)22(27)24-21-8-5-4-6-9-21/h4-6,8-13H,7,14-18H2,1-3H3,(H,24,27)