ethyl 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazine-1-carboxylate hydrate

Systemtic Name: ethyl 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazine-1-carboxylate hydrate Openeye Name: ethyl 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazine-1-carboxylate hydrate CAS Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-piperazinecarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazine-1-carboxylate hydrate Traditional Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazine-1-carboxylic acid ethyl ester hydrate Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3CCCC4=C3C(=CC=C4)N2.O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3CCCC4=C3C(=CC=C4)N2.O

InChI

InChI=1S/C18H24N4O2.H2O/c1-2-24-18(23)22-11-9-21(10-12-22)17-19-14-7-3-5-13-6-4-8-15(20-17)16(13)14;/h3,5,7,15H,2,4,6,8-12H2,1H3,(H,19,20);1H2