3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

InChI

InChI=1S/C26H35N5O2/c27-21-8-10-22(11-9-21)29-26(33)20-7-12-24(23(28)18-20)30-13-4-14-31(16-15-30)25(32)17-19-5-2-1-3-6-19/h1-3,5-7,12,18,21-22H,4,8-11,13-17,27-28H2,(H,29,33)