3-[2-oxidanylidene-3-(1-phenethylpiperidin-4-yl)-1,3-diazepan-1-yl]benzenecarboximidamide dihydrochloride

Systemtic Name: 3-[2-oxidanylidene-3-(1-phenethylpiperidin-4-yl)-1,3-diazepan-1-yl]benzenecarboximidamide dihydrochloride Openeye Name: 3-[2-oxo-3-(1-phenethyl-4-piperidyl)-1,3-diazepan-1-yl]benzamidine dihydrochloride CAS Name: 3-[2-oxo-3-(1-phenethyl-4-piperidinyl)-1,3-diazepan-1-yl]benzenecarboximidamide dihydrochloride IUPAC Name: 3-[2-oxo-3-(1-phenethylpiperidin-4-yl)-1,3-diazepan-1-yl]benzenecarboximidamide dihydrochloride Traditional Name: 3-[2-keto-3-(1-phenethyl-4-piperidyl)-1,3-diazepan-1-yl]benzamidine dihydrochloride Formula: C25H35Cl2N5O MolecularWeight: 492.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)N(C1)C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1CCN(C(=O)N(C1)C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C25H33N5O.2ClH/c26-24(27)21-9-6-10-23(19-21)30-15-5-4-14-29(25(30)31)22-12-17-28(18-13-22)16-11-20-7-2-1-3-8-20;;/h1-3,6-10,19,22H,4-5,11-18H2,(H3,26,27);2*1H