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

Systemtic Name: 3-[2-oxidanylidene-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide Openeye Name: 3-[2-oxo-3-[1-(3-pyridylmethyl)-4-piperidyl]-1,3-diazepan-1-yl]benzamidine CAS Name: 3-[2-oxo-3-[1-(3-pyridinylmethyl)-4-piperidinyl]-1,3-diazepan-1-yl]benzenecarboximidamide IUPAC Name: 3-[2-oxo-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide Traditional Name: 3-[2-keto-3-[1-(3-pyridylmethyl)-4-piperidyl]-1,3-diazepan-1-yl]benzamidine Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O/c24-22(25)19-6-3-7-21(15-19)29-12-2-1-11-28(23(29)30)20-8-13-27(14-9-20)17-18-5-4-10-26-16-18/h3-7,10,15-16,20H,1-2,8-9,11-14,17H2,(H3,24,25)