4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-phenyl-1-piperazinyl)ethyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazino)ethyl]butyramide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O5/c29-22(24-10-12-25-13-15-26(16-14-25)18-5-2-1-3-6-18)7-4-11-27-20-9-8-19(28(31)32)17-21(20)33-23(27)30/h1-3,5-6,8-9,17H,4,7,10-16H2,(H,24,29)