4-[(4-chlorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-[3-(2-furyl)-1-methyl-propyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-[4-(2-furanyl)butan-2-yl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-[3-(2-furyl)-1-methyl-propyl]-1,4-diazepane-1-carboxamide Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CCC1=CC=CO1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3O2/c1-17(5-10-20-4-2-15-27-20)23-21(26)25-12-3-11-24(13-14-25)16-18-6-8-19(22)9-7-18/h2,4,6-9,15,17H,3,5,10-14,16H2,1H3,(H,23,26)