N-[4-(methylcarbamoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride

Systemtic Name: N-[4-(methylcarbamoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride Openeye Name: N-[4-(methylcarbamoylamino)phenyl]-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate tetrahydrochloride CAS Name: N-[4-(methylcarbamoylamino)phenyl]-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate tetrahydrochloride IUPAC Name: N-[4-(methylcarbamoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride Traditional Name: N-[4-(methylcarbamoylamino)phenyl]-3-[4-(2-pyridyl)piperazino]propionamide hydrate tetrahydrochloride Formula: C40H58Cl4N12O5 MolecularWeight: 928.77792

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C20H26N6O2.4ClH.H2O/c2*1-21-20(28)24-17-7-5-16(6-8-17)23-19(27)9-11-25-12-14-26(15-13-25)18-4-2-3-10-22-18;;;;;/h2*2-8,10H,9,11-15H2,1H3,(H,23,27)(H2,21,24,28);4*1H;1H2