4-butoxy-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-butoxy-N-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 4-butoxy-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 4-butoxy-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-butoxy-N-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethyl]benzamide Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C26H35N3O3/c1-3-4-18-32-24-12-10-23(11-13-24)26(31)27-19-25(30)29-15-5-14-28(16-17-29)20-22-8-6-21(2)7-9-22/h6-13H,3-5,14-20H2,1-2H3,(H,27,31)