3-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one

Systemtic Name: 3-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O4/c1-2-14-32-26(24-8-3-4-9-25(24)28(32)35)29-21-7-5-6-20(19-21)27(34)31-17-15-30(16-18-31)22-10-12-23(13-11-22)33(36)37/h3-13,19,26,29H,2,14-18H2,1H3