6-nitro-5-[4-(4-phenylpiperazin-1-yl)butyl]chromen-2-one

Systemtic Name: 6-nitro-5-[4-(4-phenylpiperazin-1-yl)butyl]chromen-2-one Openeye Name: 6-nitro-5-[4-(4-phenylpiperazin-1-yl)butyl]chromen-2-one CAS Name: 6-nitro-5-[4-(4-phenyl-1-piperazinyl)butyl]-1-benzopyran-2-one IUPAC Name: 6-nitro-5-[4-(4-phenylpiperazin-1-yl)butyl]chromen-2-one Traditional Name: 6-nitro-5-[4-(4-phenylpiperazino)butyl]coumarin Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=C(C=CC3=C2C=CC(=O)O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCC2=C(C=CC3=C2C=CC(=O)O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4/c27-23-12-9-20-19(21(26(28)29)10-11-22(20)30-23)8-4-5-13-24-14-16-25(17-15-24)18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-17H2