N4-(1-piperidin-4-ylethyl)benzene-1,4-dicarboxamide hydrate

Systemtic Name: N4-(1-piperidin-4-ylethyl)benzene-1,4-dicarboxamide hydrate Openeye Name: N4-[1-(4-piperidyl)ethyl]terephthalamide hydrate CAS Name: N4-[1-(4-piperidinyl)ethyl]benzene-1,4-dicarboxamide hydrate IUPAC Name: 4-N-(1-piperidin-4-ylethyl)benzene-1,4-dicarboxamide hydrate Traditional Name: N'-[1-(4-piperidyl)ethyl]terephthalamide hydrate Formula: C30H44N6O5 MolecularWeight: 568.70756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)NC(=O)C2=CC=C(C=C2)C(=O)N.CC(C1CCNCC1)NC(=O)C2=CC=C(C=C2)C(=O)N.O

Isomeric SMILES

CC(C1CCNCC1)NC(=O)C2=CC=C(C=C2)C(=O)N.CC(C1CCNCC1)NC(=O)C2=CC=C(C=C2)C(=O)N.O

InChI

InChI=1S/2C15H21N3O2.H2O/c2*1-10(11-6-8-17-9-7-11)18-15(20)13-4-2-12(3-5-13)14(16)19;/h2*2-5,10-11,17H,6-9H2,1H3,(H2,16,19)(H,18,20);1H2