N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]furan-3-carboxamide

Systemtic Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]furan-3-carboxamide Openeye Name: N-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]furan-3-carboxamide CAS Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-3-furancarboxamide IUPAC Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-3-carboxamide Traditional Name: N-[3-keto-3-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propyl]-3-furamide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)C3=COC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)C3=COC=C3

InChI

InChI=1S/C21H27N3O3/c1-17-3-5-18(6-4-17)15-23-10-2-11-24(13-12-23)20(25)7-9-22-21(26)19-8-14-27-16-19/h3-6,8,14,16H,2,7,9-13,15H2,1H3,(H,22,26)