3-[2-oxidanylidene-3-[1-(2-phenylethanoyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: 3-[2-oxidanylidene-3-[1-(2-phenylethanoyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide Openeye Name: 3-[2-oxo-3-[1-(2-phenylacetyl)-4-piperidyl]-1,3-diazepan-1-yl]benzamidine CAS Name: 3-[2-oxo-3-[1-(1-oxo-2-phenylethyl)-4-piperidinyl]-1,3-diazepan-1-yl]benzenecarboximidamide IUPAC Name: 3-[2-oxo-3-[1-(2-phenylacetyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide Traditional Name: 3-[2-keto-3-[1-(2-phenylacetyl)-4-piperidyl]-1,3-diazepan-1-yl]benzamidine Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)N(C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(=O)N(C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H31N5O2/c26-24(27)20-9-6-10-22(18-20)30-14-5-4-13-29(25(30)32)21-11-15-28(16-12-21)23(31)17-19-7-2-1-3-8-19/h1-3,6-10,18,21H,4-5,11-17H2,(H3,26,27)