3-azanyl-8-piperazin-1-yl-chromen-2-one; benzoic acid

Systemtic Name: 3-azanyl-8-piperazin-1-yl-chromen-2-one; benzoic acid Openeye Name: 3-amino-8-piperazin-1-yl-chromen-2-one; benzoic acid CAS Name: 3-amino-8-(1-piperazinyl)-1-benzopyran-2-one; benzoic acid IUPAC Name: 3-amino-8-piperazin-1-ylchromen-2-one; benzoic acid Traditional Name: 3-amino-8-piperazino-coumarin; benzoic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H15N3O2.C7H6O2/c14-10-8-9-2-1-3-11(12(9)18-13(10)17)16-6-4-15-5-7-16;8-7(9)6-4-2-1-3-5-6/h1-3,8,15H,4-7,14H2;1-5H,(H,8,9)