4-azanyl-N-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide dihydrate

Systemtic Name: 4-azanyl-N-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide dihydrate Openeye Name: 4-amino-N-[2-[4-(4-pyridyl)piperazin-1-yl]ethyl]benzamide dihydrate CAS Name: 4-amino-N-[2-(4-pyridin-4-yl-1-piperazinyl)ethyl]benzamide dihydrate IUPAC Name: 4-amino-N-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide dihydrate Traditional Name: 4-amino-N-[2-[4-(4-pyridyl)piperazino]ethyl]benzamide dihydrate Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=NC=C3.O.O

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=NC=C3.O.O

InChI

InChI=1S/C18H23N5O.2H2O/c19-16-3-1-15(2-4-16)18(24)21-9-10-22-11-13-23(14-12-22)17-5-7-20-8-6-17;;/h1-8H,9-14,19H2,(H,21,24);2*1H2