4-[4-azanyl-2-(diethylcarbamoyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[4-azanyl-2-(diethylcarbamoyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[4-amino-2-(diethylcarbamoyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide CAS Name: 4-[4-amino-2-[diethylamino(oxo)methyl]phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[4-amino-2-(diethylcarbamoyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[4-amino-2-(diethylcarbamoyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide Formula: C21H35N5O2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1)N)N2CCCN(CC2)C(=O)NC(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1)N)N2CCCN(CC2)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H35N5O2/c1-6-24(7-2)19(27)17-15-16(22)9-10-18(17)25-11-8-12-26(14-13-25)20(28)23-21(3,4)5/h9-10,15H,6-8,11-14,22H2,1-5H3,(H,23,28)