8-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-(2-phenoxyethyl)-1-piperazinyl]isoquinoline IUPAC Name: 8-nitro-5-[4-(2-phenoxyethyl)piperazin-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-(2-phenoxyethyl)piperazino]isoquinoline Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c26-25(27)21-7-6-20(18-8-9-22-16-19(18)21)24-12-10-23(11-13-24)14-15-28-17-4-2-1-3-5-17/h1-9,16H,10-15H2