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

Systemtic Name: 3-[2-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide Openeye Name: 3-[3-(1-benzyl-4-piperidyl)-2-oxo-1,3-diazepan-1-yl]benzamidine CAS Name: 3-[2-oxo-3-[1-(phenylmethyl)-4-piperidinyl]-1,3-diazepan-1-yl]benzenecarboximidamide IUPAC Name: 3-[3-(1-benzylpiperidin-4-yl)-2-oxo-1,3-diazepan-1-yl]benzenecarboximidamide Traditional Name: 3-[3-(1-benzyl-4-piperidyl)-2-keto-1,3-diazepan-1-yl]benzamidine Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c25-23(26)20-9-6-10-22(17-20)29-14-5-4-13-28(24(29)30)21-11-15-27(16-12-21)18-19-7-2-1-3-8-19/h1-3,6-10,17,21H,4-5,11-16,18H2,(H3,25,26)