3-[3-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one

Systemtic Name: 3-[3-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[3-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[3-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[3-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbonyl]phenyl]coumarin Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O)[N+](=O)[O-]

InChI

InChI=1S/C31H30N4O5/c36-30(24-9-6-8-22(19-24)26-20-23-7-2-3-10-29(23)40-31(26)37)34-17-15-32(16-18-34)25-11-12-27(35(38)39)28(21-25)33-13-4-1-5-14-33/h2-3,6-12,19-21H,1,4-5,13-18H2