N-tert-butyl-2-[4-[4-(phenylcarbamoylamino)phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(phenylcarbamoylamino)phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[4-[[anilino(oxo)methyl]amino]phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide IUPAC Name: N-tert-butyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]-1,4-diazepan-1-yl]acetamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H33N5O3/c1-25(2,3)28-22(31)18-29-14-7-15-30(17-16-29)23(32)19-10-12-21(13-11-19)27-24(33)26-20-8-5-4-6-9-20/h4-6,8-13H,7,14-18H2,1-3H3,(H,28,31)(H2,26,27,33)